2-(3-Phenyl-1,2,4-oxadiazol-5-yl)phenol , CAS No.79349-24-9

CAS: 79349-24-9 Cat. No.: P668507 Molecular Weight: 238.24 EC Number: 868-490-6 PubChem CID: 779192
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Synonyms
2-(3-phenyl-1,2,4-oxadiazol-5-yl)phenol | 5-(2-hydroxyphenyl)-3-phenyl-1,2,4-oxadiazole | Phenol, 2-(3-phenyl-1,2,4-oxadiazol-5-yl)- | ChemDiv3_002096 | Cambridge id 5347279 | DTXSID60425235 | VNCIJMRFIRKERM-UHFFFAOYSA-N | HMS1478P06 | BDBM50576851 | CCG-
Storage
Room temperature
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Size
Status
Price
Qty
1mg
P668507-1mg
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$571.90

$999.90
Save $428.00 (42.80%)
5mg
P668507-5mg
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$1,999.90

$2,999.90
Save $1,000.00 (33.33%)
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Why this grade

for sensitive chromatographic and analytical workflows requiring minimal baseline interference.

🌡

Storage & shipping

Room temperature Ships Check lot-specific COA for exact specifications.

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Quality documents

SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.

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Literature proof

Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.

Specifications

Synonyms
2-(3-phenyl-1, 2, 4-oxadiazol-5-yl)phenol | 5-(2-hydroxyphenyl)-3-phenyl-1, 2, 4-oxadiazole | Phenol, 2-(3-phenyl-1, 2, 4-oxadiazol-5-yl)- | ChemDiv3_002096 | Cambridge id 5347279 | DTXSID60425235 | VNCIJMRFIRKERM-UHFFFAOYSA-N | HMS1478P06 | BDBM50576851 | CCG-
Storage
Room temperature
Product Properties
ALogP3.1
Names and Identifiers
Canonical SmilesC1=CC=C(C=C1)C2=NOC(=N2)C3=CC=CC=C3O
IUPAC Name2-(3-phenyl-1,2,4-oxadiazol-5-yl)phenol
InChIKeyVNCIJMRFIRKERM-UHFFFAOYSA-N
INCHI1S/C14H10N2O2/c17-12-9-5-4-8-11(12)14-15-13(16-18-14)10-6-2-1-3-7-10/h1-9,17H
Isomeric SMILES C1=CC=C(C=C1)C2=NOC(=N2)C3=CC=CC=C3O
PubChem CID 779192
Molecular Weight 238.24

Documentation

📋 Safety Data Sheet (SDS)

Comprehensive hazard, handling, storage, and regulatory compliance document.

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✅ Certificate of Analysis (COA)

Lot-specific quality data. Enter your lot number to retrieve the exact COA.

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📊 Datasheet

Quick-reference summary of product specifications and applications.

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🔬 Specification Sheet

Full quality attributes and acceptance criteria for this grade.

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Advanced Data

Taxonomic Classification

Taxonomy Tree

KingdomOrganic compounds
SuperclassOrganoheterocyclic compounds
ClassAzoles
SubclassOxadiazoles
Intermediate Tree Nodes 1,2,4-oxadiazoles
Direct ParentPhenyloxadiazoles
Alternative Parents 1-hydroxy-4-unsubstituted benzenoids  1-hydroxy-2-unsubstituted benzenoids  Benzene and substituted derivatives  Heteroaromatic compounds  Oxacyclic compounds  Azacyclic compounds  Organooxygen compounds  Organonitrogen compounds  Hydrocarbon derivatives  Organic anions  
Molecular FrameworkAromatic heteromonocyclic compounds
Substituents Phenyl-1,2,4-oxadiazole - 1-hydroxy-4-unsubstituted benzenoid - 1-hydroxy-2-unsubstituted benzenoid - Phenol - Monocyclic benzene moiety - Benzenoid - Heteroaromatic compound - Azacycle - Oxacycle - Hydrocarbon derivative - Organic oxygen compound - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Organic anion - Aromatic heteromonocyclic compound
DescriptionThis compound belongs to the class of organic compounds known as phenyloxadiazoles. These are polycyclic aromatic compounds containing a benzene ring linked to a 1,2,4-oxadiazole ring through a CC or CN bond.
External Descriptors Not available
3D Structure
Interactive Chemical Structure Model





Associated Targets(Human)
CHUK Tchem Inhibitor of nuclear factor kappa-B kinase subunit alpha (2 Activities)
Activity TypeActivity Value -log(M)Mechanism of ActionActivity ReferencePublications (PubMed IDs)
TXNRD1 Tclin Thioredoxin reductase 1, cytoplasmic (2 Activities)
Activity TypeActivity Value -log(M)Mechanism of ActionActivity ReferencePublications (PubMed IDs)
NOX4 Tchem NADPH oxidase 4 (2 Activities)
Activity TypeActivity Value -log(M)Mechanism of ActionActivity ReferencePublications (PubMed IDs)
TXNRD1 Tclin Thioredoxin reductase 1 (99 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
CASP3 Tchem Caspase-3 (3632 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
CHUK Tchem Inhibitor of nuclear factor kappa B kinase alpha subunit (3170 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Caco-2 (12174 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
WI-38 (2654 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
HepG2 (196354 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
MDA-MB-231 (73002 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
NOX4 Tchem NADPH oxidase 4 (333 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
SENP8 Tchem Sentrin-specific protease 8 (1687 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
SENP7 Tchem Sentrin-specific protease 7 (1073 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Associated Targets(non-human)
Nfe2l2 Nuclear factor erythroid 2-related factor 2 (214 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Mechanisms of Action
Certificates(CoA,COO,BSE/TSE and Analysis Chart)
C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:
Chemical and Physical Properties
Molecular Weight238.240 g/mol
XLogP33.100
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count2
Exact Mass238.074 Da
Monoisotopic Mass238.074 Da
Topological Polar Surface Area59.200 Ų
Heavy Atom Count18
Formal Charge0
Complexity269.000
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
The total count of all stereochemical bonds0
Covalently-Bonded Unit Count1
Solution Calculators
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