N-(4-acetylphenyl)-2-[(5-methyl-1,2-oxazol-3-yl)amino]pyrimidine-4-carboxamide

C17H15N5O3 — CID 109318244

IUPACN-(4-acetylphenyl)-2-[(5-methyl-1,2-oxazol-3-yl)amino]pyrimidine-4-carboxamide
SMILESCC(=O)c1ccc(NC(=O)c2ccnc(Nc3cc(C)on3)n2)cc1
InChIInChI=1S/C17H15N5O3/c1-10-9-15(22-25-10)21-17-18-8-7-14(20-17)16(24)19-13-5-3-12(4-6-13)11(2)23/h3-9H,1-2H3,(H,19,24)(H,18,20,21,22)
InChIKeyPNWJYCVNEOJJEC-UHFFFAOYSA-N
MW337.34 g/mol
LogP2.97
Rot. Bonds5

About N-(4-acetylphenyl)-2-[(5-methyl-1,2-oxazol-3-yl)amino]pyrimidine-4-carboxamide

N-(4-acetylphenyl)-2-[(5-methyl-1,2-oxazol-3-yl)amino]pyrimidine-4-carboxamide (PubChem CID 109318244) has the molecular formula C17H15N5O3 and a molecular weight of 337.34 g/mol. Its IUPAC name is N-(4-acetylphenyl)-2-[(5-methyl-1,2-oxazol-3-yl)amino]pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-(4-acetylphenyl)-2-[(5-methyl-1,2-oxazol-3-yl)amino]pyrimidine-4-carboxamide
PubChem CID109318244
Molecular FormulaC17H15N5O3
Molecular Weight337.34 g/mol
Exact Mass337.12
IUPAC NameN-(4-acetylphenyl)-2-[(5-methyl-1,2-oxazol-3-yl)amino]pyrimidine-4-carboxamide
SMILESCC(=O)c1ccc(NC(=O)c2ccnc(Nc3cc(C)on3)n2)cc1
InChIInChI=1S/C17H15N5O3/c1-10-9-15(22-25-10)21-17-18-8-7-14(20-17)16(24)19-13-5-3-12(4-6-13)11(2)23/h3-9H,1-2H3,(H,19,24)(H,18,20,21,22)
InChIKeyPNWJYCVNEOJJEC-UHFFFAOYSA-N
XLogP2.97
TPSA110.01 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.34
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

2-[(5-methyl-1,2-oxazol-3-yl)amino]-N-(4-methylphenyl)pyrimidine-4-carboxamide
CID 109314183
N-(4-ethylphenyl)-2-[(5-methyl-1,2-oxazol-3-yl)amino]pyrimidine-4-carboxamide
CID 109315784
2-(4-acetamidoanilino)-N-(5-methyl-1,2-oxazol-3-yl)pyrimidine-4-carboxamide
CID 109318283
N-(3,4-difluorophenyl)-2-[(5-methyl-1,2-oxazol-3-yl)amino]pyrimidine-4-carboxamide
CID 109318857
N-(3-chloro-4-fluorophenyl)-2-[(5-methyl-1,2-oxazol-3-yl)amino]pyrimidine-4-carboxamide
CID 109317370
methyl 4-[[4-[(5-methyl-1,2-oxazol-3-yl)carbamoyl]pyrimidin-2-yl]amino]benzoate
CID 109318361
N-(2,6-dimethylphenyl)-2-[(5-methyl-1,2-oxazol-3-yl)amino]pyrimidine-4-carboxamide
CID 109315385
N-(5-methyl-1,2-oxazol-3-yl)-2-(4-propan-2-ylanilino)pyrimidine-4-carboxamide
CID 109316127
N-(4-acetylphenyl)-2-(4-propan-2-yloxyanilino)pyrimidine-4-carboxamide
CID 109317994
N-(4-acetylphenyl)-2-(4-ethoxyanilino)pyrimidine-4-carboxamide
CID 109317859
N-(5-methyl-1,2-oxazol-3-yl)-2-(4-phenoxyanilino)pyrimidine-4-carboxamide
CID 109318464
N-(2-ethylphenyl)-2-[(5-methyl-1,2-oxazol-3-yl)amino]pyrimidine-4-carboxamide
CID 109315653

Frequently Asked Questions

What is the IUPAC name of N-(4-acetylphenyl)-2-[(5-methyl-1,2-oxazol-3-yl)amino]pyrimidine-4-carboxamide?
The IUPAC name of N-(4-acetylphenyl)-2-[(5-methyl-1,2-oxazol-3-yl)amino]pyrimidine-4-carboxamide (CID 109318244) is N-(4-acetylphenyl)-2-[(5-methyl-1,2-oxazol-3-yl)amino]pyrimidine-4-carboxamide.
What is the SMILES notation for N-(4-acetylphenyl)-2-[(5-methyl-1,2-oxazol-3-yl)amino]pyrimidine-4-carboxamide?
The canonical SMILES for N-(4-acetylphenyl)-2-[(5-methyl-1,2-oxazol-3-yl)amino]pyrimidine-4-carboxamide is CC(=O)c1ccc(NC(=O)c2ccnc(Nc3cc(C)on3)n2)cc1.
What is the InChIKey of N-(4-acetylphenyl)-2-[(5-methyl-1,2-oxazol-3-yl)amino]pyrimidine-4-carboxamide?
The InChIKey is PNWJYCVNEOJJEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N5O3/c1-10-9-15(22-25-10)21-17-18-8-7-14(20-17)16(24)19-13-5-3-12(4-6-13)11(2)23/h3-9H,1-2H3,(H,19,24)(H,18,20,21,22).
What are the key properties of N-(4-acetylphenyl)-2-[(5-methyl-1,2-oxazol-3-yl)amino]pyrimidine-4-carboxamide?
N-(4-acetylphenyl)-2-[(5-methyl-1,2-oxazol-3-yl)amino]pyrimidine-4-carboxamide has a molecular weight of 337.34 g/mol, XLogP of 2.97, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetylphenyl)-2-[(5-methyl-1,2-oxazol-3-yl)amino]pyrimidine-4-carboxamide is sourced from PubChem (CID 109318244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).