N,2-diphenyl-1,3-oxazole-4-carboxamide

C16H12N2O2 — CID 3558327

IUPACN,2-diphenyl-1,3-oxazole-4-carboxamide
SMILESO=C(Nc1ccccc1)c1coc(-c2ccccc2)n1
InChIInChI=1S/C16H12N2O2/c19-15(17-13-9-5-2-6-10-13)14-11-20-16(18-14)12-7-3-1-4-8-12/h1-11H,(H,17,19)
InChIKeyWABDJTSIEJDUTQ-UHFFFAOYSA-N
MW264.28 g/mol
LogP3.59
Rot. Bonds3

About N,2-diphenyl-1,3-oxazole-4-carboxamide

N,2-diphenyl-1,3-oxazole-4-carboxamide (PubChem CID 3558327) has the molecular formula C16H12N2O2 and a molecular weight of 264.28 g/mol. Its IUPAC name is N,2-diphenyl-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound NameN,2-diphenyl-1,3-oxazole-4-carboxamide
PubChem CID3558327
Molecular FormulaC16H12N2O2
Molecular Weight264.28 g/mol
Exact Mass264.09
IUPAC NameN,2-diphenyl-1,3-oxazole-4-carboxamide
SMILESO=C(Nc1ccccc1)c1coc(-c2ccccc2)n1
InChIInChI=1S/C16H12N2O2/c19-15(17-13-9-5-2-6-10-13)14-11-20-16(18-14)12-7-3-1-4-8-12/h1-11H,(H,17,19)
InChIKeyWABDJTSIEJDUTQ-UHFFFAOYSA-N
XLogP3.59
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.28
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N,2-diphenyl-1,3-oxazole-4-carboxamide?
The IUPAC name of N,2-diphenyl-1,3-oxazole-4-carboxamide (CID 3558327) is N,2-diphenyl-1,3-oxazole-4-carboxamide.
What is the SMILES notation for N,2-diphenyl-1,3-oxazole-4-carboxamide?
The canonical SMILES for N,2-diphenyl-1,3-oxazole-4-carboxamide is O=C(Nc1ccccc1)c1coc(-c2ccccc2)n1.
What is the InChIKey of N,2-diphenyl-1,3-oxazole-4-carboxamide?
The InChIKey is WABDJTSIEJDUTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12N2O2/c19-15(17-13-9-5-2-6-10-13)14-11-20-16(18-14)12-7-3-1-4-8-12/h1-11H,(H,17,19).
What are the key properties of N,2-diphenyl-1,3-oxazole-4-carboxamide?
N,2-diphenyl-1,3-oxazole-4-carboxamide has a molecular weight of 264.28 g/mol, XLogP of 3.59, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-diphenyl-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 3558327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).