2,5-diphenyloxazole - PubChem Public Chemical Database

2,5-diphenyloxazole - Compound Summary (CID 7105)

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Drug and Chemical Information

Safety and Toxicology

Substance Information

Category

Exports

Drug and Chemical Information: (Total:1)

2,5-diphenyloxazole

Safety and Toxicology

EINECS - European Inventory of Existing Commercial Chemical Substances

TOXLINE - Citations to the toxicological literature

Literature

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BioActivity Results:

Tested in BioAssays: All: 3 Inactive: 3
BioActivity Summary: This Compound

with Similar Compounds

AID: 1044 Source: The Scripps Research Institute Molecular Screening Center
Primary cell-based high-throughput screening assay to identify agonists of Sphingosine 1-Phosphate receptor 1 (S1P1)

AID: 833 Source: The Scripps Research Institute Molecular Screening Center
Primary Cell Based High Throughput Screening Assay for Agonists of GALR2

AID: 811 Source: The Scripps Research Institute Molecular Screening Center
Primary Cell Based High Throughput Screening Assay for Inhibitors of TLR4-MyD88 binding

Properties Computed from Structure:

Molecular Weight	221.25394 [g/mol]
Molecular Formula	C₁₅H₁₁NO
XLogP3	4.7
H-Bond Donor	0
H-Bond Acceptor	2
Rotatable Bond Count	2
Exact Mass	221.084064
MonoIsotopic Mass	221.084064
Topological Polar Surface Area	26
Heavy Atom Count	17
Formal Charge	0
Complexity	231
Isotope Atom Count	0
Defined Atom StereoCenter Count	0
Undefined Atom StereoCenter Count	0
Defined Bond StereoCenter Count	0
Undefined Bond StereoCenter Count	0
Covalently-Bonded Unit Count	1

Descriptors Computed from Structure:

IUPAC Name: 2,5-di(phenyl)-1,3-oxazole
Canonical SMILES: C1=CC=C(C=C1)C2=CN=C(O2)C3=CC=CC=C3
InChI: InChI=1S/C15H11NO/c1-3-7-12(8-4-1)14-11-16-15(17-14)13-9-5-2-6-10-13/h1-
11H

InChIKey: CNRNYORZJGVOSY-UHFFFAOYSA-N

Compound Information:

CID 7105

Create Date: 2005-03-26

Similar Compounds: 244 Links

Similar Conformers: 6297 Links View Conformers