5-Phenyloxazole - ≥95% , CAS No.1006-68-4

CAS: 1006-68-4 Cat. No.: P178711 Molecular Weight: 145.2 EC Number: 687-911-2 PubChem CID: 589311

GRADE & PURITY ≥95%

Synonyms

SCHEMBL344048 | Oxazole, 5-phenyl- | PS-6301 | BL004766 | DTXSID40343362 | FT-0620749 | 5-Phenyloxazole | MFCD00067074 | SY031826 | AKOS006230213 | 5-phenyl oxazole | 5-Phenyl-1,3-oxazole # | W-204382 | 5-phenyloxazole, AldrichCPR | 5-Phenyl-1,3-oxazole |

Storage

Room temperature

Shipped In

Normal

Overview

Application：

5-Phenyloxazole, is an building block used for the synthesis pf various pharmaceutical and biologically active compounds. It has also been shown to be able to modulate adenylate cyclase, leading to identification of Octopamine and tyramine receptor agonists.

Specifications

Synonyms

SCHEMBL344048 | Oxazole, 5-phenyl- | PS-6301 | BL004766 | DTXSID40343362 | FT-0620749 | 5-Phenyloxazole | MFCD00067074 | SY031826 | AKOS006230213 | 5-phenyl oxazole | 5-Phenyl-1, 3-oxazole # | W-204382 | 5-phenyloxazole, AldrichCPR | 5-Phenyl-1, 3-oxazole |

Specifications & Purity

≥95%

Storage

Room temperature

Shipped In

Normal

Purity

≥95%

Names and Identifiers

• Canonical Smiles: C1=CC=C(C=C1)C2=CN=CO2
• IUPAC Name: 5-phenyl-1,3-oxazole
• InChIKey: YPYPBEGIASEWKA-UHFFFAOYSA-N
• INCHI: 1S/C9H7NO/c1-2-4-8(5-3-1)9-6-10-7-11-9/h1-7H
• Isomeric SMILES: C1=CC=C(C=C1)C2=CN=CO2
• PubChem CID: 589311
• Molecular Weight: 145.2

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Azoles
      • Subclass Oxazoles

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Azoles
• Subclass: Oxazoles
• Intermediate Tree Nodes: Not available
• Direct Parent: Phenyl-1,3-oxazoles
• Alternative Parents: Benzene and substituted derivatives Heteroaromatic compounds Oxacyclic compounds Azacyclic compounds Organopnictogen compounds Organooxygen compounds Organonitrogen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Phenyl-1,3-oxazole - Benzenoid - Monocyclic benzene moiety - Heteroaromatic compound - Oxacycle - Azacycle - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Aromatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as phenyl-1,3-oxazoles. These are aromatic heterocyclic compounds containing a 1,3-oxazole substituted at one or more positions by a phenyl group.
• External Descriptors: Not available

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

Associated Targets(Human)

MT4 (17854 Activities)

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Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Associated Targets(non-human)

pol Human immunodeficiency virus type 1 integrase (9041 Activities)

Discover Target: pol

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Caenorhabditis elegans (1055 Activities)

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Mechanisms of Action

Chemical and Physical Properties

• Molecular Weight: 145.160 g/mol
• XLogP3: 2.000
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 145.053 Da
• Monoisotopic Mass: 145.053 Da
• Topological Polar Surface Area: 26.000 Ų
• Heavy Atom Count: 11
• Formal Charge: 0
• Complexity: 121.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1