N-(5-chloro-2-pyridinyl)-5-(4-methoxyphenyl)-1,2-oxazole-3-carboxamide

C16H12ClN3O3 — CID 8721778

IUPACN-(5-chloro-2-pyridinyl)-5-(4-methoxyphenyl)-1,2-oxazole-3-carboxamide
SMILESCOc1ccc(-c2cc(C(=O)Nc3ccc(Cl)cn3)no2)cc1
InChIInChI=1S/C16H12ClN3O3/c1-22-12-5-2-10(3-6-12)14-8-13(20-23-14)16(21)19-15-7-4-11(17)9-18-15/h2-9H,1H3,(H,18,19,21)
InChIKeyKJJQJKBGWYZAND-UHFFFAOYSA-N
MW329.74 g/mol
LogP3.65
Rot. Bonds4

About N-(5-chloro-2-pyridinyl)-5-(4-methoxyphenyl)-1,2-oxazole-3-carboxamide

N-(5-chloro-2-pyridinyl)-5-(4-methoxyphenyl)-1,2-oxazole-3-carboxamide (PubChem CID 8721778) has the molecular formula C16H12ClN3O3 and a molecular weight of 329.74 g/mol. Its IUPAC name is N-(5-chloro-2-pyridinyl)-5-(4-methoxyphenyl)-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-(5-chloro-2-pyridinyl)-5-(4-methoxyphenyl)-1,2-oxazole-3-carboxamide
PubChem CID8721778
Molecular FormulaC16H12ClN3O3
Molecular Weight329.74 g/mol
Exact Mass329.06
IUPAC NameN-(5-chloro-2-pyridinyl)-5-(4-methoxyphenyl)-1,2-oxazole-3-carboxamide
SMILESCOc1ccc(-c2cc(C(=O)Nc3ccc(Cl)cn3)no2)cc1
InChIInChI=1S/C16H12ClN3O3/c1-22-12-5-2-10(3-6-12)14-8-13(20-23-14)16(21)19-15-7-4-11(17)9-18-15/h2-9H,1H3,(H,18,19,21)
InChIKeyKJJQJKBGWYZAND-UHFFFAOYSA-N
XLogP3.65
TPSA77.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.74
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-chloropyridin-3-yl)-5-(3-methoxyphenyl)-1,2-oxazole-3-carboxamide
CID 3604840
N-(2-chloro-3-pyridinyl)-5-(3,4-dimethoxyphenyl)-3-isoxazolecarboxamide
CID 15988778
N-(2-chloro(3-pyridyl))[5-(2-methoxyphenyl)isoxazol-3-yl]carboxamide
CID 17252896
4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-pyridin-2-ylbenzamide
CID 17419512
N-(2-chloropyridin-3-yl)-5-(4-methoxyphenyl)-1,2-oxazole-3-carboxamide
CID 3685904
5-(4-methoxyphenyl)-N-(pyridin-3-ylmethyl)isoxazole-3-carboxamide
CID 3236273
4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-(5-methyl-2-pyridinyl)benzamide
CID 25162610
4-[3-amino-6-(3,5-dimethyl-1,2-oxazol-4-yl)pyrazin-2-yl]oxy-N-(5-chloro-2-pyridinyl)benzamide
CID 156014910
N-[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]ethyl]-4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzamide
CID 16285221
N-{[5-(4-methoxyphenyl)-3-isoxazolyl]methyl}-6,7,8,9-tetrahydro-5H-pyrimido[4,5-d]azepin-4-amine dihydrochloride
CID 56905133
4-[3-amino-6-(3,5-dimethyl-1,2-oxazol-4-yl)pyrazin-2-yl]oxy-N-(3-chloro-2-pyridinyl)benzamide
CID 156020535
4-[3-amino-6-(3,5-dimethyl-1,2-oxazol-4-yl)pyrazin-2-yl]oxy-N-(6-chloro-2-pyridinyl)benzamide
CID 156021043

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-pyridinyl)-5-(4-methoxyphenyl)-1,2-oxazole-3-carboxamide?
The IUPAC name of N-(5-chloro-2-pyridinyl)-5-(4-methoxyphenyl)-1,2-oxazole-3-carboxamide (CID 8721778) is N-(5-chloro-2-pyridinyl)-5-(4-methoxyphenyl)-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-(5-chloro-2-pyridinyl)-5-(4-methoxyphenyl)-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-(5-chloro-2-pyridinyl)-5-(4-methoxyphenyl)-1,2-oxazole-3-carboxamide is COc1ccc(-c2cc(C(=O)Nc3ccc(Cl)cn3)no2)cc1.
What is the InChIKey of N-(5-chloro-2-pyridinyl)-5-(4-methoxyphenyl)-1,2-oxazole-3-carboxamide?
The InChIKey is KJJQJKBGWYZAND-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12ClN3O3/c1-22-12-5-2-10(3-6-12)14-8-13(20-23-14)16(21)19-15-7-4-11(17)9-18-15/h2-9H,1H3,(H,18,19,21).
What are the key properties of N-(5-chloro-2-pyridinyl)-5-(4-methoxyphenyl)-1,2-oxazole-3-carboxamide?
N-(5-chloro-2-pyridinyl)-5-(4-methoxyphenyl)-1,2-oxazole-3-carboxamide has a molecular weight of 329.74 g/mol, XLogP of 3.65, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-pyridinyl)-5-(4-methoxyphenyl)-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 8721778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).