5-methyl-3-phenyl-N-pyridin-4-yl-1,2-oxazole-4-carboxamide

C16H13N3O2 — CID 1122041

IUPAC5-methyl-3-phenyl-N-pyridin-4-yl-1,2-oxazole-4-carboxamide
SMILESCc1onc(-c2ccccc2)c1C(=O)Nc1ccncc1
InChIInChI=1S/C16H13N3O2/c1-11-14(16(20)18-13-7-9-17-10-8-13)15(19-21-11)12-5-3-2-4-6-12/h2-10H,1H3,(H,17,18,20)
InChIKeyTYRKYTKWBUCSMX-UHFFFAOYSA-N
MW279.30 g/mol
LogP3.30
Rot. Bonds3

About 5-methyl-3-phenyl-N-pyridin-4-yl-1,2-oxazole-4-carboxamide

5-methyl-3-phenyl-N-pyridin-4-yl-1,2-oxazole-4-carboxamide (PubChem CID 1122041) has the molecular formula C16H13N3O2 and a molecular weight of 279.30 g/mol. Its IUPAC name is 5-methyl-3-phenyl-N-pyridin-4-yl-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound Name5-methyl-3-phenyl-N-pyridin-4-yl-1,2-oxazole-4-carboxamide
PubChem CID1122041
Molecular FormulaC16H13N3O2
Molecular Weight279.30 g/mol
Exact Mass279.10
IUPAC Name5-methyl-3-phenyl-N-pyridin-4-yl-1,2-oxazole-4-carboxamide
SMILESCc1onc(-c2ccccc2)c1C(=O)Nc1ccncc1
InChIInChI=1S/C16H13N3O2/c1-11-14(16(20)18-13-7-9-17-10-8-13)15(19-21-11)12-5-3-2-4-6-12/h2-10H,1H3,(H,17,18,20)
InChIKeyTYRKYTKWBUCSMX-UHFFFAOYSA-N
XLogP3.30
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.30
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-methyl-3-phenyl-N-pyridin-4-yl-1,2-oxazole-4-carboxamide 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 5-methyl-3-phenyl-N-pyridin-4-yl-1,2-oxazole-4-carboxamide?
The IUPAC name of 5-methyl-3-phenyl-N-pyridin-4-yl-1,2-oxazole-4-carboxamide (CID 1122041) is 5-methyl-3-phenyl-N-pyridin-4-yl-1,2-oxazole-4-carboxamide.
What is the SMILES notation for 5-methyl-3-phenyl-N-pyridin-4-yl-1,2-oxazole-4-carboxamide?
The canonical SMILES for 5-methyl-3-phenyl-N-pyridin-4-yl-1,2-oxazole-4-carboxamide is Cc1onc(-c2ccccc2)c1C(=O)Nc1ccncc1.
What is the InChIKey of 5-methyl-3-phenyl-N-pyridin-4-yl-1,2-oxazole-4-carboxamide?
The InChIKey is TYRKYTKWBUCSMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N3O2/c1-11-14(16(20)18-13-7-9-17-10-8-13)15(19-21-11)12-5-3-2-4-6-12/h2-10H,1H3,(H,17,18,20).
What are the key properties of 5-methyl-3-phenyl-N-pyridin-4-yl-1,2-oxazole-4-carboxamide?
5-methyl-3-phenyl-N-pyridin-4-yl-1,2-oxazole-4-carboxamide has a molecular weight of 279.30 g/mol, XLogP of 3.30, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-3-phenyl-N-pyridin-4-yl-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 1122041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).