2-[[(5-propan-2-ylpyridine-2-carbonyl)amino]methyl]-1,3-oxazole-4-carboxamide

C14H16N4O3 — CID 126826720

IUPAC2-[[(5-propan-2-ylpyridine-2-carbonyl)amino]methyl]-1,3-oxazole-4-carboxamide
SMILESCC(C)c1ccc(C(=O)NCc2nc(C(N)=O)co2)nc1
InChIInChI=1S/C14H16N4O3/c1-8(2)9-3-4-10(16-5-9)14(20)17-6-12-18-11(7-21-12)13(15)19/h3-5,7-8H,6H2,1-2H3,(H2,15,19)(H,17,20)
InChIKeyRMSGMKJIKHLMHM-UHFFFAOYSA-N
MW288.31 g/mol
LogP1.22
Rot. Bonds5

About 2-[[(5-propan-2-ylpyridine-2-carbonyl)amino]methyl]-1,3-oxazole-4-carboxamide

2-[[(5-propan-2-ylpyridine-2-carbonyl)amino]methyl]-1,3-oxazole-4-carboxamide (PubChem CID 126826720) has the molecular formula C14H16N4O3 and a molecular weight of 288.31 g/mol. Its IUPAC name is 2-[[(5-propan-2-ylpyridine-2-carbonyl)amino]methyl]-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound Name2-[[(5-propan-2-ylpyridine-2-carbonyl)amino]methyl]-1,3-oxazole-4-carboxamide
PubChem CID126826720
Molecular FormulaC14H16N4O3
Molecular Weight288.31 g/mol
Exact Mass288.12
IUPAC Name2-[[(5-propan-2-ylpyridine-2-carbonyl)amino]methyl]-1,3-oxazole-4-carboxamide
SMILESCC(C)c1ccc(C(=O)NCc2nc(C(N)=O)co2)nc1
InChIInChI=1S/C14H16N4O3/c1-8(2)9-3-4-10(16-5-9)14(20)17-6-12-18-11(7-21-12)13(15)19/h3-5,7-8H,6H2,1-2H3,(H2,15,19)(H,17,20)
InChIKeyRMSGMKJIKHLMHM-UHFFFAOYSA-N
XLogP1.22
TPSA111.11 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.31
LogP ≤ 51.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-[[(5-propan-2-ylpyridine-2-carbonyl)amino]methyl]-1,3-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 2-[[(5-propan-2-ylpyridine-2-carbonyl)amino]methyl]-1,3-oxazole-4-carboxamide?
The IUPAC name of 2-[[(5-propan-2-ylpyridine-2-carbonyl)amino]methyl]-1,3-oxazole-4-carboxamide (CID 126826720) is 2-[[(5-propan-2-ylpyridine-2-carbonyl)amino]methyl]-1,3-oxazole-4-carboxamide.
What is the SMILES notation for 2-[[(5-propan-2-ylpyridine-2-carbonyl)amino]methyl]-1,3-oxazole-4-carboxamide?
The canonical SMILES for 2-[[(5-propan-2-ylpyridine-2-carbonyl)amino]methyl]-1,3-oxazole-4-carboxamide is CC(C)c1ccc(C(=O)NCc2nc(C(N)=O)co2)nc1.
What is the InChIKey of 2-[[(5-propan-2-ylpyridine-2-carbonyl)amino]methyl]-1,3-oxazole-4-carboxamide?
The InChIKey is RMSGMKJIKHLMHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O3/c1-8(2)9-3-4-10(16-5-9)14(20)17-6-12-18-11(7-21-12)13(15)19/h3-5,7-8H,6H2,1-2H3,(H2,15,19)(H,17,20).
What are the key properties of 2-[[(5-propan-2-ylpyridine-2-carbonyl)amino]methyl]-1,3-oxazole-4-carboxamide?
2-[[(5-propan-2-ylpyridine-2-carbonyl)amino]methyl]-1,3-oxazole-4-carboxamide has a molecular weight of 288.31 g/mol, XLogP of 1.22, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(5-propan-2-ylpyridine-2-carbonyl)amino]methyl]-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 126826720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).