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

C16H15N5O2 — CID 109314183

IUPAC2-[(5-methyl-1,2-oxazol-3-yl)amino]-N-(4-methylphenyl)pyrimidine-4-carboxamide
SMILESCc1ccc(NC(=O)c2ccnc(Nc3cc(C)on3)n2)cc1
InChIInChI=1S/C16H15N5O2/c1-10-3-5-12(6-4-10)18-15(22)13-7-8-17-16(19-13)20-14-9-11(2)23-21-14/h3-9H,1-2H3,(H,18,22)(H,17,19,20,21)
InChIKeyPQHZTSGQDMNONL-UHFFFAOYSA-N
MW309.33 g/mol
LogP3.08
Rot. Bonds4

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

2-[(5-methyl-1,2-oxazol-3-yl)amino]-N-(4-methylphenyl)pyrimidine-4-carboxamide (PubChem CID 109314183) has the molecular formula C16H15N5O2 and a molecular weight of 309.33 g/mol. Its IUPAC name is 2-[(5-methyl-1,2-oxazol-3-yl)amino]-N-(4-methylphenyl)pyrimidine-4-carboxamide.

Molecular Properties

Compound Name2-[(5-methyl-1,2-oxazol-3-yl)amino]-N-(4-methylphenyl)pyrimidine-4-carboxamide
PubChem CID109314183
Molecular FormulaC16H15N5O2
Molecular Weight309.33 g/mol
Exact Mass309.12
IUPAC Name2-[(5-methyl-1,2-oxazol-3-yl)amino]-N-(4-methylphenyl)pyrimidine-4-carboxamide
SMILESCc1ccc(NC(=O)c2ccnc(Nc3cc(C)on3)n2)cc1
InChIInChI=1S/C16H15N5O2/c1-10-3-5-12(6-4-10)18-15(22)13-7-8-17-16(19-13)20-14-9-11(2)23-21-14/h3-9H,1-2H3,(H,18,22)(H,17,19,20,21)
InChIKeyPQHZTSGQDMNONL-UHFFFAOYSA-N
XLogP3.08
TPSA92.94 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.33
LogP ≤ 53.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(4-acetylphenyl)-2-[(5-methyl-1,2-oxazol-3-yl)amino]pyrimidine-4-carboxamide
CID 109318244
N-(4-ethylphenyl)-2-[(5-methyl-1,2-oxazol-3-yl)amino]pyrimidine-4-carboxamide
CID 109315784
N-(3,4-difluorophenyl)-2-[(5-methyl-1,2-oxazol-3-yl)amino]pyrimidine-4-carboxamide
CID 109318857
2-(4-acetamidoanilino)-N-(5-methyl-1,2-oxazol-3-yl)pyrimidine-4-carboxamide
CID 109318283
N-(3-chloro-4-fluorophenyl)-2-[(5-methyl-1,2-oxazol-3-yl)amino]pyrimidine-4-carboxamide
CID 109317370
N-(2,6-dimethylphenyl)-2-[(5-methyl-1,2-oxazol-3-yl)amino]pyrimidine-4-carboxamide
CID 109315385
2-(3,5-dimethylanilino)-N-(4-methylphenyl)pyrimidine-4-carboxamide
CID 109314095
N-(5-methyl-1,2-oxazol-3-yl)-2-(4-propan-2-ylanilino)pyrimidine-4-carboxamide
CID 109316127
N-(5-methyl-1,2-oxazol-3-yl)-2-(4-phenoxyanilino)pyrimidine-4-carboxamide
CID 109318464
methyl 4-[[4-[(5-methyl-1,2-oxazol-3-yl)carbamoyl]pyrimidin-2-yl]amino]benzoate
CID 109318361
N-(2-ethylphenyl)-2-[(5-methyl-1,2-oxazol-3-yl)amino]pyrimidine-4-carboxamide
CID 109315653
2-anilino-N-(4-methylphenyl)pyrimidine-4-carboxamide
CID 109313398

Frequently Asked Questions

What is the IUPAC name of 2-[(5-methyl-1,2-oxazol-3-yl)amino]-N-(4-methylphenyl)pyrimidine-4-carboxamide?
The IUPAC name of 2-[(5-methyl-1,2-oxazol-3-yl)amino]-N-(4-methylphenyl)pyrimidine-4-carboxamide (CID 109314183) is 2-[(5-methyl-1,2-oxazol-3-yl)amino]-N-(4-methylphenyl)pyrimidine-4-carboxamide.
What is the SMILES notation for 2-[(5-methyl-1,2-oxazol-3-yl)amino]-N-(4-methylphenyl)pyrimidine-4-carboxamide?
The canonical SMILES for 2-[(5-methyl-1,2-oxazol-3-yl)amino]-N-(4-methylphenyl)pyrimidine-4-carboxamide is Cc1ccc(NC(=O)c2ccnc(Nc3cc(C)on3)n2)cc1.
What is the InChIKey of 2-[(5-methyl-1,2-oxazol-3-yl)amino]-N-(4-methylphenyl)pyrimidine-4-carboxamide?
The InChIKey is PQHZTSGQDMNONL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N5O2/c1-10-3-5-12(6-4-10)18-15(22)13-7-8-17-16(19-13)20-14-9-11(2)23-21-14/h3-9H,1-2H3,(H,18,22)(H,17,19,20,21).
What are the key properties of 2-[(5-methyl-1,2-oxazol-3-yl)amino]-N-(4-methylphenyl)pyrimidine-4-carboxamide?
2-[(5-methyl-1,2-oxazol-3-yl)amino]-N-(4-methylphenyl)pyrimidine-4-carboxamide has a molecular weight of 309.33 g/mol, XLogP of 3.08, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-methyl-1,2-oxazol-3-yl)amino]-N-(4-methylphenyl)pyrimidine-4-carboxamide is sourced from PubChem (CID 109314183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).