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

C17H17N5O2 — CID 109256874

IUPAC2-[benzyl(methyl)amino]-N-(5-methyl-1,2-oxazol-3-yl)pyrimidine-5-carboxamide
SMILESCc1cc(NC(=O)c2cnc(N(C)Cc3ccccc3)nc2)no1
InChIInChI=1S/C17H17N5O2/c1-12-8-15(21-24-12)20-16(23)14-9-18-17(19-10-14)22(2)11-13-6-4-3-5-7-13/h3-10H,11H2,1-2H3,(H,20,21,23)
InChIKeyVJKNOUMQSMDPHU-UHFFFAOYSA-N
MW323.36 g/mol
LogP2.66
Rot. Bonds5

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

2-[benzyl(methyl)amino]-N-(5-methyl-1,2-oxazol-3-yl)pyrimidine-5-carboxamide (PubChem CID 109256874) has the molecular formula C17H17N5O2 and a molecular weight of 323.36 g/mol. Its IUPAC name is 2-[benzyl(methyl)amino]-N-(5-methyl-1,2-oxazol-3-yl)pyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-[benzyl(methyl)amino]-N-(5-methyl-1,2-oxazol-3-yl)pyrimidine-5-carboxamide
PubChem CID109256874
Molecular FormulaC17H17N5O2
Molecular Weight323.36 g/mol
Exact Mass323.14
IUPAC Name2-[benzyl(methyl)amino]-N-(5-methyl-1,2-oxazol-3-yl)pyrimidine-5-carboxamide
SMILESCc1cc(NC(=O)c2cnc(N(C)Cc3ccccc3)nc2)no1
InChIInChI=1S/C17H17N5O2/c1-12-8-15(21-24-12)20-16(23)14-9-18-17(19-10-14)22(2)11-13-6-4-3-5-7-13/h3-10H,11H2,1-2H3,(H,20,21,23)
InChIKeyVJKNOUMQSMDPHU-UHFFFAOYSA-N
XLogP2.66
TPSA84.15 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.36
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-[benzyl(methyl)amino]-N-(5-methyl-1,2-oxazol-3-yl)pyridine-2-carboxamide
CID 109189340
4-N-benzyl-4-N-methyl-1-N-(5-methyl-1,2-oxazol-3-yl)benzene-1,4-dicarboxamide
CID 109047153
6-[benzyl(propan-2-yl)amino]-N-(5-methyl-1,2-oxazol-3-yl)pyridine-3-carboxamide
CID 109161118
N-(5-methyl-1,2-oxazol-3-yl)-2-(2-phenylethylamino)pyrimidine-5-carboxamide
CID 109259621
2-[benzyl(methyl)amino]-N-(2,4-dimethylphenyl)pyrimidine-5-carboxamide
CID 109256795
5-(N-benzylanilino)-N-(5-methyl-1,2-oxazol-3-yl)pyridine-3-carboxamide
CID 109246079
N-(5-methyl-1,2-oxazol-3-yl)benzamide
CID 569560
2-[benzyl(methyl)amino]-N-(3-chloro-4-methylphenyl)pyrimidine-5-carboxamide
CID 109256820
2-[benzyl(methyl)amino]-N-propan-2-ylpyrimidine-5-carboxamide
CID 109246891
2-[benzyl(methyl)amino]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrimidine-5-carboxamide
CID 109256854
2-[benzyl(methyl)amino]-N-(3-chloro-2-methylphenyl)pyrimidine-5-carboxamide
CID 109256817
3-[benzyl(methyl)sulfamoyl]-N-(5-methyl-1,2-oxazol-3-yl)benzamide
CID 109064674

Frequently Asked Questions

What is the IUPAC name of 2-[benzyl(methyl)amino]-N-(5-methyl-1,2-oxazol-3-yl)pyrimidine-5-carboxamide?
The IUPAC name of 2-[benzyl(methyl)amino]-N-(5-methyl-1,2-oxazol-3-yl)pyrimidine-5-carboxamide (CID 109256874) is 2-[benzyl(methyl)amino]-N-(5-methyl-1,2-oxazol-3-yl)pyrimidine-5-carboxamide.
What is the SMILES notation for 2-[benzyl(methyl)amino]-N-(5-methyl-1,2-oxazol-3-yl)pyrimidine-5-carboxamide?
The canonical SMILES for 2-[benzyl(methyl)amino]-N-(5-methyl-1,2-oxazol-3-yl)pyrimidine-5-carboxamide is Cc1cc(NC(=O)c2cnc(N(C)Cc3ccccc3)nc2)no1.
What is the InChIKey of 2-[benzyl(methyl)amino]-N-(5-methyl-1,2-oxazol-3-yl)pyrimidine-5-carboxamide?
The InChIKey is VJKNOUMQSMDPHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N5O2/c1-12-8-15(21-24-12)20-16(23)14-9-18-17(19-10-14)22(2)11-13-6-4-3-5-7-13/h3-10H,11H2,1-2H3,(H,20,21,23).
What are the key properties of 2-[benzyl(methyl)amino]-N-(5-methyl-1,2-oxazol-3-yl)pyrimidine-5-carboxamide?
2-[benzyl(methyl)amino]-N-(5-methyl-1,2-oxazol-3-yl)pyrimidine-5-carboxamide has a molecular weight of 323.36 g/mol, XLogP of 2.66, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[benzyl(methyl)amino]-N-(5-methyl-1,2-oxazol-3-yl)pyrimidine-5-carboxamide is sourced from PubChem (CID 109256874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).