N-[3-(4-chlorophenyl)-1,2-oxazol-5-yl]-6-oxo-1H-pyridine-3-carboxamide

C15H10ClN3O3 — CID 110621439

IUPACN-[3-(4-chlorophenyl)-1,2-oxazol-5-yl]-6-oxo-1H-pyridine-3-carboxamide
SMILESO=C(Nc1cc(-c2ccc(Cl)cc2)no1)c1ccc(=O)[nH]c1
InChIInChI=1S/C15H10ClN3O3/c16-11-4-1-9(2-5-11)12-7-14(22-19-12)18-15(21)10-3-6-13(20)17-8-10/h1-8H,(H,17,20)(H,18,21)
InChIKeyLPWHLKAEHYWQCY-UHFFFAOYSA-N
MW315.72 g/mol
LogP2.94
Rot. Bonds3

About N-[3-(4-chlorophenyl)-1,2-oxazol-5-yl]-6-oxo-1H-pyridine-3-carboxamide

N-[3-(4-chlorophenyl)-1,2-oxazol-5-yl]-6-oxo-1H-pyridine-3-carboxamide (PubChem CID 110621439) has the molecular formula C15H10ClN3O3 and a molecular weight of 315.72 g/mol. Its IUPAC name is N-[3-(4-chlorophenyl)-1,2-oxazol-5-yl]-6-oxo-1H-pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[3-(4-chlorophenyl)-1,2-oxazol-5-yl]-6-oxo-1H-pyridine-3-carboxamide
PubChem CID110621439
Molecular FormulaC15H10ClN3O3
Molecular Weight315.72 g/mol
Exact Mass315.04
IUPAC NameN-[3-(4-chlorophenyl)-1,2-oxazol-5-yl]-6-oxo-1H-pyridine-3-carboxamide
SMILESO=C(Nc1cc(-c2ccc(Cl)cc2)no1)c1ccc(=O)[nH]c1
InChIInChI=1S/C15H10ClN3O3/c16-11-4-1-9(2-5-11)12-7-14(22-19-12)18-15(21)10-3-6-13(20)17-8-10/h1-8H,(H,17,20)(H,18,21)
InChIKeyLPWHLKAEHYWQCY-UHFFFAOYSA-N
XLogP2.94
TPSA87.99 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.72
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-(4-chlorophenyl)-1,2-oxazol-5-yl]acetamide
CID 112503051
N-[5-chloro-2-(dimethylamino)phenyl]-6-oxo-1H-pyridine-3-carboxamide
CID 60630528
N-[3-(4-chlorophenyl)-1,2-oxazol-5-yl]-2,6-dimethoxybenzamide
CID 112503065
N-[3-(4-chlorophenyl)-1,2-oxazol-5-yl]-4-(4-methylphenyl)-4-oxobutanamide
CID 110302314
N-[3-(4-chlorophenyl)-1,2-oxazol-5-yl]cyclohexanecarboxamide
CID 112503058
1-[3-(4-chlorophenyl)-1,2-oxazol-5-yl]-3-cyclohexylurea
CID 112503079
N-(4,6-dichloropyrimidin-5-yl)-6-oxo-1H-pyridine-3-carboxamide
CID 114074381
3,5-dichloro-N-[3-(3,4-dimethoxyphenyl)-1,2-oxazol-5-yl]-4-methoxybenzamide
CID 35338112
N-(2-fluoro-5-methylphenyl)-6-oxo-1H-pyridine-3-carboxamide
CID 28825950
N-(4-bromo-2,5-difluorophenyl)-6-oxo-1H-pyridine-3-carboxamide
CID 103842478
N-(5-chloro-2-ethoxyphenyl)-6-oxo-1H-pyridine-3-carboxamide
CID 47267865
3,4-difluoro-N-(3-pyridin-3-yl-1,2-oxazol-5-yl)benzamide
CID 53143042

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-chlorophenyl)-1,2-oxazol-5-yl]-6-oxo-1H-pyridine-3-carboxamide?
The IUPAC name of N-[3-(4-chlorophenyl)-1,2-oxazol-5-yl]-6-oxo-1H-pyridine-3-carboxamide (CID 110621439) is N-[3-(4-chlorophenyl)-1,2-oxazol-5-yl]-6-oxo-1H-pyridine-3-carboxamide.
What is the SMILES notation for N-[3-(4-chlorophenyl)-1,2-oxazol-5-yl]-6-oxo-1H-pyridine-3-carboxamide?
The canonical SMILES for N-[3-(4-chlorophenyl)-1,2-oxazol-5-yl]-6-oxo-1H-pyridine-3-carboxamide is O=C(Nc1cc(-c2ccc(Cl)cc2)no1)c1ccc(=O)[nH]c1.
What is the InChIKey of N-[3-(4-chlorophenyl)-1,2-oxazol-5-yl]-6-oxo-1H-pyridine-3-carboxamide?
The InChIKey is LPWHLKAEHYWQCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10ClN3O3/c16-11-4-1-9(2-5-11)12-7-14(22-19-12)18-15(21)10-3-6-13(20)17-8-10/h1-8H,(H,17,20)(H,18,21).
What are the key properties of N-[3-(4-chlorophenyl)-1,2-oxazol-5-yl]-6-oxo-1H-pyridine-3-carboxamide?
N-[3-(4-chlorophenyl)-1,2-oxazol-5-yl]-6-oxo-1H-pyridine-3-carboxamide has a molecular weight of 315.72 g/mol, XLogP of 2.94, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-chlorophenyl)-1,2-oxazol-5-yl]-6-oxo-1H-pyridine-3-carboxamide is sourced from PubChem (CID 110621439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).