2-(4-acetamidoanilino)-N-(5-methyl-1,2-oxazol-3-yl)pyrimidine-4-carboxamide

C17H16N6O3 — CID 109318283

IUPAC2-(4-acetamidoanilino)-N-(5-methyl-1,2-oxazol-3-yl)pyrimidine-4-carboxamide
SMILESCC(=O)Nc1ccc(Nc2nccc(C(=O)Nc3cc(C)on3)n2)cc1
InChIInChI=1S/C17H16N6O3/c1-10-9-15(23-26-10)22-16(25)14-7-8-18-17(21-14)20-13-5-3-12(4-6-13)19-11(2)24/h3-9H,1-2H3,(H,19,24)(H,18,20,21)(H,22,23,25)
InChIKeyHYDRLLWNEWTJRX-UHFFFAOYSA-N
MW352.35 g/mol
LogP2.73
Rot. Bonds5

About 2-(4-acetamidoanilino)-N-(5-methyl-1,2-oxazol-3-yl)pyrimidine-4-carboxamide

2-(4-acetamidoanilino)-N-(5-methyl-1,2-oxazol-3-yl)pyrimidine-4-carboxamide (PubChem CID 109318283) has the molecular formula C17H16N6O3 and a molecular weight of 352.35 g/mol. Its IUPAC name is 2-(4-acetamidoanilino)-N-(5-methyl-1,2-oxazol-3-yl)pyrimidine-4-carboxamide.

Molecular Properties

Compound Name2-(4-acetamidoanilino)-N-(5-methyl-1,2-oxazol-3-yl)pyrimidine-4-carboxamide
PubChem CID109318283
Molecular FormulaC17H16N6O3
Molecular Weight352.35 g/mol
Exact Mass352.13
IUPAC Name2-(4-acetamidoanilino)-N-(5-methyl-1,2-oxazol-3-yl)pyrimidine-4-carboxamide
SMILESCC(=O)Nc1ccc(Nc2nccc(C(=O)Nc3cc(C)on3)n2)cc1
InChIInChI=1S/C17H16N6O3/c1-10-9-15(23-26-10)22-16(25)14-7-8-18-17(21-14)20-13-5-3-12(4-6-13)19-11(2)24/h3-9H,1-2H3,(H,19,24)(H,18,20,21)(H,22,23,25)
InChIKeyHYDRLLWNEWTJRX-UHFFFAOYSA-N
XLogP2.73
TPSA122.04 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.35
LogP ≤ 52.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 2-(4-acetamidoanilino)-N-(5-methyl-1,2-oxazol-3-yl)pyrimidine-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

Related Compounds

N-(5-methyl-1,2-oxazol-3-yl)-2-(4-propan-2-ylanilino)pyrimidine-4-carboxamide
CID 109316127
methyl 4-[[4-[(5-methyl-1,2-oxazol-3-yl)carbamoyl]pyrimidin-2-yl]amino]benzoate
CID 109318361
N-(5-methyl-1,2-oxazol-3-yl)-2-(4-phenoxyanilino)pyrimidine-4-carboxamide
CID 109318464
2-[(5-methyl-1,2-oxazol-3-yl)amino]-N-(4-methylphenyl)pyrimidine-4-carboxamide
CID 109314183
N-(4-acetylphenyl)-2-[(5-methyl-1,2-oxazol-3-yl)amino]pyrimidine-4-carboxamide
CID 109318244
2-(3,4-dimethoxyanilino)-N-(5-methyl-1,2-oxazol-3-yl)pyrimidine-4-carboxamide
CID 109318092
2-(3-chloro-4-fluoroanilino)-N-(5-methyl-1,2-oxazol-3-yl)pyrimidine-4-carboxamide
CID 109317346
N-(4-ethylphenyl)-2-[(5-methyl-1,2-oxazol-3-yl)amino]pyrimidine-4-carboxamide
CID 109315784
2-(2-chloroanilino)-N-(5-methyl-1,2-oxazol-3-yl)pyrimidine-4-carboxamide
CID 109316757
2-(4-acetamidoanilino)-N-phenylpyrimidine-4-carboxamide
CID 109313556
2-(2-fluoroanilino)-N-(5-methyl-1,2-oxazol-3-yl)pyrimidine-4-carboxamide
CID 109316500
N-(3,4-difluorophenyl)-2-[(5-methyl-1,2-oxazol-3-yl)amino]pyrimidine-4-carboxamide
CID 109318857

Frequently Asked Questions

What is the IUPAC name of 2-(4-acetamidoanilino)-N-(5-methyl-1,2-oxazol-3-yl)pyrimidine-4-carboxamide?
The IUPAC name of 2-(4-acetamidoanilino)-N-(5-methyl-1,2-oxazol-3-yl)pyrimidine-4-carboxamide (CID 109318283) is 2-(4-acetamidoanilino)-N-(5-methyl-1,2-oxazol-3-yl)pyrimidine-4-carboxamide.
What is the SMILES notation for 2-(4-acetamidoanilino)-N-(5-methyl-1,2-oxazol-3-yl)pyrimidine-4-carboxamide?
The canonical SMILES for 2-(4-acetamidoanilino)-N-(5-methyl-1,2-oxazol-3-yl)pyrimidine-4-carboxamide is CC(=O)Nc1ccc(Nc2nccc(C(=O)Nc3cc(C)on3)n2)cc1.
What is the InChIKey of 2-(4-acetamidoanilino)-N-(5-methyl-1,2-oxazol-3-yl)pyrimidine-4-carboxamide?
The InChIKey is HYDRLLWNEWTJRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N6O3/c1-10-9-15(23-26-10)22-16(25)14-7-8-18-17(21-14)20-13-5-3-12(4-6-13)19-11(2)24/h3-9H,1-2H3,(H,19,24)(H,18,20,21)(H,22,23,25).
What are the key properties of 2-(4-acetamidoanilino)-N-(5-methyl-1,2-oxazol-3-yl)pyrimidine-4-carboxamide?
2-(4-acetamidoanilino)-N-(5-methyl-1,2-oxazol-3-yl)pyrimidine-4-carboxamide has a molecular weight of 352.35 g/mol, XLogP of 2.73, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-acetamidoanilino)-N-(5-methyl-1,2-oxazol-3-yl)pyrimidine-4-carboxamide is sourced from PubChem (CID 109318283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).