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

C15H12ClN5O2 — CID 109268924

IUPAC2-(4-chloroanilino)-N-(5-methyl-1,2-oxazol-3-yl)pyrimidine-5-carboxamide
SMILESCc1cc(NC(=O)c2cnc(Nc3ccc(Cl)cc3)nc2)no1
InChIInChI=1S/C15H12ClN5O2/c1-9-6-13(21-23-9)20-14(22)10-7-17-15(18-8-10)19-12-4-2-11(16)3-5-12/h2-8H,1H3,(H,17,18,19)(H,20,21,22)
InChIKeyOHQWIZSOBVGTMQ-UHFFFAOYSA-N
MW329.75 g/mol
LogP3.42
Rot. Bonds4

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

2-(4-chloroanilino)-N-(5-methyl-1,2-oxazol-3-yl)pyrimidine-5-carboxamide (PubChem CID 109268924) has the molecular formula C15H12ClN5O2 and a molecular weight of 329.75 g/mol. Its IUPAC name is 2-(4-chloroanilino)-N-(5-methyl-1,2-oxazol-3-yl)pyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-(4-chloroanilino)-N-(5-methyl-1,2-oxazol-3-yl)pyrimidine-5-carboxamide
PubChem CID109268924
Molecular FormulaC15H12ClN5O2
Molecular Weight329.75 g/mol
Exact Mass329.07
IUPAC Name2-(4-chloroanilino)-N-(5-methyl-1,2-oxazol-3-yl)pyrimidine-5-carboxamide
SMILESCc1cc(NC(=O)c2cnc(Nc3ccc(Cl)cc3)nc2)no1
InChIInChI=1S/C15H12ClN5O2/c1-9-6-13(21-23-9)20-14(22)10-7-17-15(18-8-10)19-12-4-2-11(16)3-5-12/h2-8H,1H3,(H,17,18,19)(H,20,21,22)
InChIKeyOHQWIZSOBVGTMQ-UHFFFAOYSA-N
XLogP3.42
TPSA92.94 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.75
LogP ≤ 53.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-(4-bromoanilino)-N-(5-methyl-1,2-oxazol-3-yl)pyrimidine-5-carboxamide
CID 109269397
N-(3,5-dichlorophenyl)-2-[(5-methyl-1,2-oxazol-3-yl)amino]pyrimidine-5-carboxamide
CID 109270635
2-(3-fluoroanilino)-N-(5-methyl-1,2-oxazol-3-yl)pyrimidine-5-carboxamide
CID 109270413
2-(4-chloroanilino)-N-(3,5-dimethylphenyl)pyrimidine-5-carboxamide
CID 109266851
N-(4-chlorophenyl)-2-(3,5-dimethylanilino)pyrimidine-5-carboxamide
CID 109266926
2-(4-chloroanilino)-N-(3,4-dichlorophenyl)pyrimidine-5-carboxamide
CID 109268910
N-[4-(dimethylamino)phenyl]-2-[(5-methyl-1,2-oxazol-3-yl)amino]pyrimidine-5-carboxamide
CID 109270286
2-(4-chloroanilino)-N-(3,4-difluorophenyl)pyrimidine-5-carboxamide
CID 109268923
6-(4-bromoanilino)-N-(5-methyl-1,2-oxazol-3-yl)pyridine-3-carboxamide
CID 109163837
2-(4-chloroanilino)-N-(2,4-dichlorophenyl)pyrimidine-5-carboxamide
CID 109268911
N-(4-tert-butylphenyl)-2-(4-chloroanilino)pyrimidine-5-carboxamide
CID 109268262
1-N-(3-chloro-4-fluorophenyl)-4-N-(5-methyl-1,2-oxazol-3-yl)benzene-1,4-dicarboxamide
CID 109050037

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloroanilino)-N-(5-methyl-1,2-oxazol-3-yl)pyrimidine-5-carboxamide?
The IUPAC name of 2-(4-chloroanilino)-N-(5-methyl-1,2-oxazol-3-yl)pyrimidine-5-carboxamide (CID 109268924) is 2-(4-chloroanilino)-N-(5-methyl-1,2-oxazol-3-yl)pyrimidine-5-carboxamide.
What is the SMILES notation for 2-(4-chloroanilino)-N-(5-methyl-1,2-oxazol-3-yl)pyrimidine-5-carboxamide?
The canonical SMILES for 2-(4-chloroanilino)-N-(5-methyl-1,2-oxazol-3-yl)pyrimidine-5-carboxamide is Cc1cc(NC(=O)c2cnc(Nc3ccc(Cl)cc3)nc2)no1.
What is the InChIKey of 2-(4-chloroanilino)-N-(5-methyl-1,2-oxazol-3-yl)pyrimidine-5-carboxamide?
The InChIKey is OHQWIZSOBVGTMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClN5O2/c1-9-6-13(21-23-9)20-14(22)10-7-17-15(18-8-10)19-12-4-2-11(16)3-5-12/h2-8H,1H3,(H,17,18,19)(H,20,21,22).
What are the key properties of 2-(4-chloroanilino)-N-(5-methyl-1,2-oxazol-3-yl)pyrimidine-5-carboxamide?
2-(4-chloroanilino)-N-(5-methyl-1,2-oxazol-3-yl)pyrimidine-5-carboxamide has a molecular weight of 329.75 g/mol, XLogP of 3.42, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloroanilino)-N-(5-methyl-1,2-oxazol-3-yl)pyrimidine-5-carboxamide is sourced from PubChem (CID 109268924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).