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

C16H12ClN3O3 — CID 90651686

IUPAC5-chloro-6-oxo-N-[(2-phenyl-1,3-oxazol-4-yl)methyl]-1H-pyridine-3-carboxamide
SMILESO=C(NCc1coc(-c2ccccc2)n1)c1c[nH]c(=O)c(Cl)c1
InChIInChI=1S/C16H12ClN3O3/c17-13-6-11(7-18-15(13)22)14(21)19-8-12-9-23-16(20-12)10-4-2-1-3-5-10/h1-7,9H,8H2,(H,18,22)(H,19,21)
InChIKeyJIANBXACNPTCRE-UHFFFAOYSA-N
MW329.74 g/mol
LogP2.61
Rot. Bonds4

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

5-chloro-6-oxo-N-[(2-phenyl-1,3-oxazol-4-yl)methyl]-1H-pyridine-3-carboxamide (PubChem CID 90651686) has the molecular formula C16H12ClN3O3 and a molecular weight of 329.74 g/mol. Its IUPAC name is 5-chloro-6-oxo-N-[(2-phenyl-1,3-oxazol-4-yl)methyl]-1H-pyridine-3-carboxamide.

Molecular Properties

Compound Name5-chloro-6-oxo-N-[(2-phenyl-1,3-oxazol-4-yl)methyl]-1H-pyridine-3-carboxamide
PubChem CID90651686
Molecular FormulaC16H12ClN3O3
Molecular Weight329.74 g/mol
Exact Mass329.06
IUPAC Name5-chloro-6-oxo-N-[(2-phenyl-1,3-oxazol-4-yl)methyl]-1H-pyridine-3-carboxamide
SMILESO=C(NCc1coc(-c2ccccc2)n1)c1c[nH]c(=O)c(Cl)c1
InChIInChI=1S/C16H12ClN3O3/c17-13-6-11(7-18-15(13)22)14(21)19-8-12-9-23-16(20-12)10-4-2-1-3-5-10/h1-7,9H,8H2,(H,18,22)(H,19,21)
InChIKeyJIANBXACNPTCRE-UHFFFAOYSA-N
XLogP2.61
TPSA87.99 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.74
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-oxo-N-[(2-phenyl-1,3-oxazol-4-yl)methyl]-1,3-dihydroimidazole-4-carboxamide
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5-chloro-6-oxo-N-(2-phenylethyl)-1H-pyridine-3-carboxamide
CID 110852311
4-methyl-3-(2-oxoimidazolidin-1-yl)-N-[(2-phenyl-1,3-oxazol-4-yl)methyl]benzamide
CID 131936152
2-(2-methoxyethyl)-N-[(2-phenyl-1,3-oxazol-4-yl)methyl]-1,3-benzoxazole-6-carboxamide
CID 72931105
5-chloro-N-[(3-methylphenyl)methyl]-6-oxo-1H-pyridine-3-carboxamide
CID 110850820
2-[2-[(5-chloro-6-oxo-1H-pyridine-3-carbonyl)amino]ethyl]-1,3-thiazole-4-carboxylic acid
CID 86285890
2-ethyl-5-methyl-N-[(2-phenyl-1,3-oxazol-4-yl)methyl]pyrazole-3-carboxamide
CID 75494256
2-(1,2-benzoxazol-3-yl)-N-[(2-phenyl-1,3-oxazol-4-yl)methyl]acetamide
CID 90649694
5-chloro-6-oxo-N-(3-pyridin-2-ylpropyl)-1H-pyridine-3-carboxamide
CID 77088849
N-(furan-2-ylmethyl)-6-oxo-5-phenyl-1H-pyridine-3-carboxamide
CID 110683767
4-(5-phenyl-1,3,4-oxadiazol-2-yl)-N-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]benzamide
CID 24608415

Frequently Asked Questions

What is the IUPAC name of 5-chloro-6-oxo-N-[(2-phenyl-1,3-oxazol-4-yl)methyl]-1H-pyridine-3-carboxamide?
The IUPAC name of 5-chloro-6-oxo-N-[(2-phenyl-1,3-oxazol-4-yl)methyl]-1H-pyridine-3-carboxamide (CID 90651686) is 5-chloro-6-oxo-N-[(2-phenyl-1,3-oxazol-4-yl)methyl]-1H-pyridine-3-carboxamide.
What is the SMILES notation for 5-chloro-6-oxo-N-[(2-phenyl-1,3-oxazol-4-yl)methyl]-1H-pyridine-3-carboxamide?
The canonical SMILES for 5-chloro-6-oxo-N-[(2-phenyl-1,3-oxazol-4-yl)methyl]-1H-pyridine-3-carboxamide is O=C(NCc1coc(-c2ccccc2)n1)c1c[nH]c(=O)c(Cl)c1.
What is the InChIKey of 5-chloro-6-oxo-N-[(2-phenyl-1,3-oxazol-4-yl)methyl]-1H-pyridine-3-carboxamide?
The InChIKey is JIANBXACNPTCRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12ClN3O3/c17-13-6-11(7-18-15(13)22)14(21)19-8-12-9-23-16(20-12)10-4-2-1-3-5-10/h1-7,9H,8H2,(H,18,22)(H,19,21).
What are the key properties of 5-chloro-6-oxo-N-[(2-phenyl-1,3-oxazol-4-yl)methyl]-1H-pyridine-3-carboxamide?
5-chloro-6-oxo-N-[(2-phenyl-1,3-oxazol-4-yl)methyl]-1H-pyridine-3-carboxamide has a molecular weight of 329.74 g/mol, XLogP of 2.61, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-6-oxo-N-[(2-phenyl-1,3-oxazol-4-yl)methyl]-1H-pyridine-3-carboxamide is sourced from PubChem (CID 90651686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).