N-[4-[(2,6-dichlorobenzoyl)amino]-2-pyridinyl]-1,2-oxazole-3-carboxamide

C16H10Cl2N4O3 — CID 59618016

IUPACN-[4-[(2,6-dichlorobenzoyl)amino]-2-pyridinyl]-1,2-oxazole-3-carboxamide
SMILESO=C(Nc1cc(NC(=O)c2c(Cl)cccc2Cl)ccn1)c1ccon1
InChIInChI=1S/C16H10Cl2N4O3/c17-10-2-1-3-11(18)14(10)16(24)20-9-4-6-19-13(8-9)21-15(23)12-5-7-25-22-12/h1-8H,(H2,19,20,21,23,24)
InChIKeyJYQKFNOXIJJYES-UHFFFAOYSA-N
MW377.19 g/mol
LogP3.88
Rot. Bonds4

About N-[4-[(2,6-dichlorobenzoyl)amino]-2-pyridinyl]-1,2-oxazole-3-carboxamide

N-[4-[(2,6-dichlorobenzoyl)amino]-2-pyridinyl]-1,2-oxazole-3-carboxamide (PubChem CID 59618016) has the molecular formula C16H10Cl2N4O3 and a molecular weight of 377.19 g/mol. Its IUPAC name is N-[4-[(2,6-dichlorobenzoyl)amino]-2-pyridinyl]-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-[4-[(2,6-dichlorobenzoyl)amino]-2-pyridinyl]-1,2-oxazole-3-carboxamide
PubChem CID59618016
Molecular FormulaC16H10Cl2N4O3
Molecular Weight377.19 g/mol
Exact Mass376.01
IUPAC NameN-[4-[(2,6-dichlorobenzoyl)amino]-2-pyridinyl]-1,2-oxazole-3-carboxamide
SMILESO=C(Nc1cc(NC(=O)c2c(Cl)cccc2Cl)ccn1)c1ccon1
InChIInChI=1S/C16H10Cl2N4O3/c17-10-2-1-3-11(18)14(10)16(24)20-9-4-6-19-13(8-9)21-15(23)12-5-7-25-22-12/h1-8H,(H2,19,20,21,23,24)
InChIKeyJYQKFNOXIJJYES-UHFFFAOYSA-N
XLogP3.88
TPSA97.12 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.19
LogP ≤ 53.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(5-chloropyridin-2-yl)-3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazole-4-carboxamide
CID 1363764
5-[[2,4-dichloro-5-(5-fluoro-2-pyridinyl)benzoyl]amino]-N-(1,2-oxazol-3-ylmethyl)-1-phenylpyrazole-3-carboxamide
CID 126962875
5-[[2,4-dichloro-5-(3-fluoro-2-pyridinyl)benzoyl]amino]-N-(1,2-oxazol-3-ylmethyl)-1-phenylpyrazole-3-carboxamide
CID 126963033
5-[(2,4-dichloro-5-pyridin-2-ylbenzoyl)amino]-N-(1,2-oxazol-3-ylmethyl)-1-phenylpyrazole-3-carboxamide
CID 126963075
N-(5-chloropyridin-2-yl)-5-phenyl-1,2-oxazole-3-carboxamide
CID 4776161
5-(2-aminoethyl)-N-(4-pyridin-3-yl-2-pyridinyl)-1,2-oxazole-3-carboxamide
CID 177664963
2-(1,2-oxazol-3-ylmethylamino)-N-[4-(trifluoromethyl)phenyl]pyridine-3-carboxamide
CID 122535251
N-[4-amino-2-[1-[(6-fluorocyclohexa-1,3-dien-1-yl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]pyrimidin-5-yl]-2-chlorobenzamide
CID 123926357
3-(2,6-dichlorophenyl)-5-methyl-N-(5-nitro-2-pyridinyl)-4-isoxazolecarboxamide
CID 2933406
N-(5-chloropyridin-2-yl)-5-(3-fluoro-4-methylphenyl)-1,2-oxazole-3-carboxamide
CID 17010700
N-[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]ethyl]-5-cyclopropyl-1,2-oxazole-3-carboxamide
CID 33107396
N-[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]ethyl]-5-phenyl-1,2-oxazole-3-carboxamide
CID 36319698

Frequently Asked Questions

What is the IUPAC name of N-[4-[(2,6-dichlorobenzoyl)amino]-2-pyridinyl]-1,2-oxazole-3-carboxamide?
The IUPAC name of N-[4-[(2,6-dichlorobenzoyl)amino]-2-pyridinyl]-1,2-oxazole-3-carboxamide (CID 59618016) is N-[4-[(2,6-dichlorobenzoyl)amino]-2-pyridinyl]-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-[4-[(2,6-dichlorobenzoyl)amino]-2-pyridinyl]-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-[4-[(2,6-dichlorobenzoyl)amino]-2-pyridinyl]-1,2-oxazole-3-carboxamide is O=C(Nc1cc(NC(=O)c2c(Cl)cccc2Cl)ccn1)c1ccon1.
What is the InChIKey of N-[4-[(2,6-dichlorobenzoyl)amino]-2-pyridinyl]-1,2-oxazole-3-carboxamide?
The InChIKey is JYQKFNOXIJJYES-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10Cl2N4O3/c17-10-2-1-3-11(18)14(10)16(24)20-9-4-6-19-13(8-9)21-15(23)12-5-7-25-22-12/h1-8H,(H2,19,20,21,23,24).
What are the key properties of N-[4-[(2,6-dichlorobenzoyl)amino]-2-pyridinyl]-1,2-oxazole-3-carboxamide?
N-[4-[(2,6-dichlorobenzoyl)amino]-2-pyridinyl]-1,2-oxazole-3-carboxamide has a molecular weight of 377.19 g/mol, XLogP of 3.88, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(2,6-dichlorobenzoyl)amino]-2-pyridinyl]-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 59618016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).