6-(4-acetylanilino)-N-(5-methyl-1,2-oxazol-3-yl)pyrimidine-4-carboxamide

C17H15N5O3 — CID 109359404

IUPAC6-(4-acetylanilino)-N-(5-methyl-1,2-oxazol-3-yl)pyrimidine-4-carboxamide
SMILESCC(=O)c1ccc(Nc2cc(C(=O)Nc3cc(C)on3)ncn2)cc1
InChIInChI=1S/C17H15N5O3/c1-10-7-16(22-25-10)21-17(24)14-8-15(19-9-18-14)20-13-5-3-12(4-6-13)11(2)23/h3-9H,1-2H3,(H,18,19,20)(H,21,22,24)
InChIKeyDOHUNVWMMSNRDJ-UHFFFAOYSA-N
MW337.34 g/mol
LogP2.97
Rot. Bonds5

About 6-(4-acetylanilino)-N-(5-methyl-1,2-oxazol-3-yl)pyrimidine-4-carboxamide

6-(4-acetylanilino)-N-(5-methyl-1,2-oxazol-3-yl)pyrimidine-4-carboxamide (PubChem CID 109359404) has the molecular formula C17H15N5O3 and a molecular weight of 337.34 g/mol. Its IUPAC name is 6-(4-acetylanilino)-N-(5-methyl-1,2-oxazol-3-yl)pyrimidine-4-carboxamide.

Molecular Properties

Compound Name6-(4-acetylanilino)-N-(5-methyl-1,2-oxazol-3-yl)pyrimidine-4-carboxamide
PubChem CID109359404
Molecular FormulaC17H15N5O3
Molecular Weight337.34 g/mol
Exact Mass337.12
IUPAC Name6-(4-acetylanilino)-N-(5-methyl-1,2-oxazol-3-yl)pyrimidine-4-carboxamide
SMILESCC(=O)c1ccc(Nc2cc(C(=O)Nc3cc(C)on3)ncn2)cc1
InChIInChI=1S/C17H15N5O3/c1-10-7-16(22-25-10)21-17(24)14-8-15(19-9-18-14)20-13-5-3-12(4-6-13)11(2)23/h3-9H,1-2H3,(H,18,19,20)(H,21,22,24)
InChIKeyDOHUNVWMMSNRDJ-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

6-(3-acetamidoanilino)-N-(5-methyl-1,2-oxazol-3-yl)pyrimidine-4-carboxamide
CID 109359437
N-(4-acetylphenyl)-6-(2,4-dimethylanilino)pyrimidine-4-carboxamide
CID 109356770
6-(2,6-difluoroanilino)-N-(5-methyl-1,2-oxazol-3-yl)pyrimidine-4-carboxamide
CID 109359971
6-(4-acetylanilino)-N-(1,3-benzodioxol-5-yl)pyrimidine-4-carboxamide
CID 109359392
1-[4-[[6-(4-acetylanilino)pyrimidin-4-yl]amino]phenyl]ethanone
CID 112866665
6-[2,6-di(propan-2-yl)anilino]-N-(5-methyl-1,2-oxazol-3-yl)pyrimidine-4-carboxamide
CID 109359764
N-(4-acetylphenyl)-2-[(5-methyl-1,2-oxazol-3-yl)amino]pyrimidine-4-carboxamide
CID 109318244
N-(3-fluorophenyl)-6-[(5-methyl-1,2-oxazol-3-yl)amino]pyrimidine-4-carboxamide
CID 109359696
4-(3-acetylanilino)-N-(5-methyl-1,2-oxazol-3-yl)pyridine-2-carboxamide
CID 109222149
6-[(4-chlorophenyl)methylamino]-N-(5-methyl-1,2-oxazol-3-yl)pyrimidine-4-carboxamide
CID 109348751
6-(benzylamino)-N-(5-methyl-1,2-oxazol-3-yl)pyrimidine-4-carboxamide
CID 109346618
4-N-(4-acetamidophenyl)-2-N-(5-methyl-1,2-oxazol-3-yl)pyridine-2,4-dicarboxamide
CID 109093229

Frequently Asked Questions

What is the IUPAC name of 6-(4-acetylanilino)-N-(5-methyl-1,2-oxazol-3-yl)pyrimidine-4-carboxamide?
The IUPAC name of 6-(4-acetylanilino)-N-(5-methyl-1,2-oxazol-3-yl)pyrimidine-4-carboxamide (CID 109359404) is 6-(4-acetylanilino)-N-(5-methyl-1,2-oxazol-3-yl)pyrimidine-4-carboxamide.
What is the SMILES notation for 6-(4-acetylanilino)-N-(5-methyl-1,2-oxazol-3-yl)pyrimidine-4-carboxamide?
The canonical SMILES for 6-(4-acetylanilino)-N-(5-methyl-1,2-oxazol-3-yl)pyrimidine-4-carboxamide is CC(=O)c1ccc(Nc2cc(C(=O)Nc3cc(C)on3)ncn2)cc1.
What is the InChIKey of 6-(4-acetylanilino)-N-(5-methyl-1,2-oxazol-3-yl)pyrimidine-4-carboxamide?
The InChIKey is DOHUNVWMMSNRDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N5O3/c1-10-7-16(22-25-10)21-17(24)14-8-15(19-9-18-14)20-13-5-3-12(4-6-13)11(2)23/h3-9H,1-2H3,(H,18,19,20)(H,21,22,24).
What are the key properties of 6-(4-acetylanilino)-N-(5-methyl-1,2-oxazol-3-yl)pyrimidine-4-carboxamide?
6-(4-acetylanilino)-N-(5-methyl-1,2-oxazol-3-yl)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 6-(4-acetylanilino)-N-(5-methyl-1,2-oxazol-3-yl)pyrimidine-4-carboxamide is sourced from PubChem (CID 109359404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).