(3,4-diphenyl-1,2-oxazol-5-yl) acetate

C17H13NO3 — CID 57243538

IUPAC(3,4-diphenyl-1,2-oxazol-5-yl) acetate
SMILESCC(=O)Oc1onc(-c2ccccc2)c1-c1ccccc1
InChIInChI=1S/C17H13NO3/c1-12(19)20-17-15(13-8-4-2-5-9-13)16(18-21-17)14-10-6-3-7-11-14/h2-11H,1H3
InChIKeyQSIWRAYDYRRSQJ-UHFFFAOYSA-N
MW279.30 g/mol
LogP3.93
Rot. Bonds3

About (3,4-diphenyl-1,2-oxazol-5-yl) acetate

(3,4-diphenyl-1,2-oxazol-5-yl) acetate (PubChem CID 57243538) has the molecular formula C17H13NO3 and a molecular weight of 279.30 g/mol. Its IUPAC name is (3,4-diphenyl-1,2-oxazol-5-yl) acetate.

Molecular Properties

Compound Name(3,4-diphenyl-1,2-oxazol-5-yl) acetate
PubChem CID57243538
Molecular FormulaC17H13NO3
Molecular Weight279.30 g/mol
Exact Mass279.09
IUPAC Name(3,4-diphenyl-1,2-oxazol-5-yl) acetate
SMILESCC(=O)Oc1onc(-c2ccccc2)c1-c1ccccc1
InChIInChI=1S/C17H13NO3/c1-12(19)20-17-15(13-8-4-2-5-9-13)16(18-21-17)14-10-6-3-7-11-14/h2-11H,1H3
InChIKeyQSIWRAYDYRRSQJ-UHFFFAOYSA-N
XLogP3.93
TPSA52.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.30
LogP ≤ 53.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (3,4-diphenyl-1,2-oxazol-5-yl) acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (3,4-diphenyl-1,2-oxazol-5-yl) acetate?
The IUPAC name of (3,4-diphenyl-1,2-oxazol-5-yl) acetate (CID 57243538) is (3,4-diphenyl-1,2-oxazol-5-yl) acetate.
What is the SMILES notation for (3,4-diphenyl-1,2-oxazol-5-yl) acetate?
The canonical SMILES for (3,4-diphenyl-1,2-oxazol-5-yl) acetate is CC(=O)Oc1onc(-c2ccccc2)c1-c1ccccc1.
What is the InChIKey of (3,4-diphenyl-1,2-oxazol-5-yl) acetate?
The InChIKey is QSIWRAYDYRRSQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13NO3/c1-12(19)20-17-15(13-8-4-2-5-9-13)16(18-21-17)14-10-6-3-7-11-14/h2-11H,1H3.
What are the key properties of (3,4-diphenyl-1,2-oxazol-5-yl) acetate?
(3,4-diphenyl-1,2-oxazol-5-yl) acetate has a molecular weight of 279.30 g/mol, XLogP of 3.93, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3,4-diphenyl-1,2-oxazol-5-yl) acetate is sourced from PubChem (CID 57243538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).