benzyl 2-phenyl-1,3-oxazole-4-carboxylate

C17H13NO3 — CID 46866387

IUPACbenzyl 2-phenyl-1,3-oxazole-4-carboxylate
SMILESO=C(OCc1ccccc1)c1coc(-c2ccccc2)n1
InChIInChI=1S/C17H13NO3/c19-17(21-11-13-7-3-1-4-8-13)15-12-20-16(18-15)14-9-5-2-6-10-14/h1-10,12H,11H2
InChIKeyIYUMOOMTWILBIL-UHFFFAOYSA-N
MW279.30 g/mol
LogP3.70
Rot. Bonds4

About benzyl 2-phenyl-1,3-oxazole-4-carboxylate

benzyl 2-phenyl-1,3-oxazole-4-carboxylate (PubChem CID 46866387) has the molecular formula C17H13NO3 and a molecular weight of 279.30 g/mol. Its IUPAC name is benzyl 2-phenyl-1,3-oxazole-4-carboxylate.

Molecular Properties

Compound Namebenzyl 2-phenyl-1,3-oxazole-4-carboxylate
PubChem CID46866387
Molecular FormulaC17H13NO3
Molecular Weight279.30 g/mol
Exact Mass279.09
IUPAC Namebenzyl 2-phenyl-1,3-oxazole-4-carboxylate
SMILESO=C(OCc1ccccc1)c1coc(-c2ccccc2)n1
InChIInChI=1S/C17H13NO3/c19-17(21-11-13-7-3-1-4-8-13)15-12-20-16(18-15)14-9-5-2-6-10-14/h1-10,12H,11H2
InChIKeyIYUMOOMTWILBIL-UHFFFAOYSA-N
XLogP3.70
TPSA52.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.30
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze benzyl 2-phenyl-1,3-oxazole-4-carboxylate 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 benzyl 2-phenyl-1,3-oxazole-4-carboxylate?
The IUPAC name of benzyl 2-phenyl-1,3-oxazole-4-carboxylate (CID 46866387) is benzyl 2-phenyl-1,3-oxazole-4-carboxylate.
What is the SMILES notation for benzyl 2-phenyl-1,3-oxazole-4-carboxylate?
The canonical SMILES for benzyl 2-phenyl-1,3-oxazole-4-carboxylate is O=C(OCc1ccccc1)c1coc(-c2ccccc2)n1.
What is the InChIKey of benzyl 2-phenyl-1,3-oxazole-4-carboxylate?
The InChIKey is IYUMOOMTWILBIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13NO3/c19-17(21-11-13-7-3-1-4-8-13)15-12-20-16(18-15)14-9-5-2-6-10-14/h1-10,12H,11H2.
What are the key properties of benzyl 2-phenyl-1,3-oxazole-4-carboxylate?
benzyl 2-phenyl-1,3-oxazole-4-carboxylate has a molecular weight of 279.30 g/mol, XLogP of 3.70, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 2-phenyl-1,3-oxazole-4-carboxylate is sourced from PubChem (CID 46866387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).