5-chloro-N-(3-chlorophenyl)-4,6-dimethyl-[1,2]oxazolo[5,4-b]pyridine-3-carboxamide

C15H11Cl2N3O2 — CID 142769243

IUPAC5-chloro-N-(3-chlorophenyl)-4,6-dimethyl-[1,2]oxazolo[5,4-b]pyridine-3-carboxamide
SMILESCc1nc2onc(C(=O)Nc3cccc(Cl)c3)c2c(C)c1Cl
InChIInChI=1S/C15H11Cl2N3O2/c1-7-11-13(20-22-15(11)18-8(2)12(7)17)14(21)19-10-5-3-4-9(16)6-10/h3-6H,1-2H3,(H,19,21)
InChIKeyGVKFWUZIWQTPPS-UHFFFAOYSA-N
MW336.18 g/mol
LogP4.40
Rot. Bonds2

About 5-chloro-N-(3-chlorophenyl)-4,6-dimethyl-[1,2]oxazolo[5,4-b]pyridine-3-carboxamide

5-chloro-N-(3-chlorophenyl)-4,6-dimethyl-[1,2]oxazolo[5,4-b]pyridine-3-carboxamide (PubChem CID 142769243) has the molecular formula C15H11Cl2N3O2 and a molecular weight of 336.18 g/mol. Its IUPAC name is 5-chloro-N-(3-chlorophenyl)-4,6-dimethyl-[1,2]oxazolo[5,4-b]pyridine-3-carboxamide.

Molecular Properties

Compound Name5-chloro-N-(3-chlorophenyl)-4,6-dimethyl-[1,2]oxazolo[5,4-b]pyridine-3-carboxamide
PubChem CID142769243
Molecular FormulaC15H11Cl2N3O2
Molecular Weight336.18 g/mol
Exact Mass335.02
IUPAC Name5-chloro-N-(3-chlorophenyl)-4,6-dimethyl-[1,2]oxazolo[5,4-b]pyridine-3-carboxamide
SMILESCc1nc2onc(C(=O)Nc3cccc(Cl)c3)c2c(C)c1Cl
InChIInChI=1S/C15H11Cl2N3O2/c1-7-11-13(20-22-15(11)18-8(2)12(7)17)14(21)19-10-5-3-4-9(16)6-10/h3-6H,1-2H3,(H,19,21)
InChIKeyGVKFWUZIWQTPPS-UHFFFAOYSA-N
XLogP4.40
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.18
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-chlorophenyl)-3-methylquinoxaline-2-carboxamide
CID 110858888
N-(3-chlorophenyl)-4,5-dimethyl-1H-pyrazole-3-carboxamide
CID 110858828
N-(3-chlorophenyl)-6-methylpyridine-2-carboxamide
CID 31698646
4-[(2-chlorophenoxy)methyl]-N-(3-chlorophenyl)-5-methyl-1,2-oxazole-3-carboxamide
CID 19443404
N-(3-chlorophenyl)-N'-(5-methyl-1,2-oxazol-3-yl)oxamide
CID 47204376
N-(3-chlorophenyl)-3-(5-methyl-1,2,4-oxadiazol-3-yl)benzamide
CID 46321558
5-methyl-N-[3-[(5-methyl-1,2-oxazole-3-carbonyl)amino]phenyl]-1,2-oxazole-3-carboxamide
CID 58725196
N-(3-chlorophenyl)-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide
CID 873609
2-N-(3-acetylphenyl)-6-N-(3-chlorophenyl)pyridine-2,6-dicarboxamide
CID 109100836
propan-2-yl 6-[(3-chlorophenyl)carbamoyl]pyridine-2-carboxylate
CID 5042562
(5S)-5-tert-butyl-N-(3-chlorophenyl)-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide
CID 41098568
N-(3-chlorophenyl)-6,7-dimethyl-3-propan-2-yloxyquinoxaline-2-carboxamide
CID 50779956

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(3-chlorophenyl)-4,6-dimethyl-[1,2]oxazolo[5,4-b]pyridine-3-carboxamide?
The IUPAC name of 5-chloro-N-(3-chlorophenyl)-4,6-dimethyl-[1,2]oxazolo[5,4-b]pyridine-3-carboxamide (CID 142769243) is 5-chloro-N-(3-chlorophenyl)-4,6-dimethyl-[1,2]oxazolo[5,4-b]pyridine-3-carboxamide.
What is the SMILES notation for 5-chloro-N-(3-chlorophenyl)-4,6-dimethyl-[1,2]oxazolo[5,4-b]pyridine-3-carboxamide?
The canonical SMILES for 5-chloro-N-(3-chlorophenyl)-4,6-dimethyl-[1,2]oxazolo[5,4-b]pyridine-3-carboxamide is Cc1nc2onc(C(=O)Nc3cccc(Cl)c3)c2c(C)c1Cl.
What is the InChIKey of 5-chloro-N-(3-chlorophenyl)-4,6-dimethyl-[1,2]oxazolo[5,4-b]pyridine-3-carboxamide?
The InChIKey is GVKFWUZIWQTPPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11Cl2N3O2/c1-7-11-13(20-22-15(11)18-8(2)12(7)17)14(21)19-10-5-3-4-9(16)6-10/h3-6H,1-2H3,(H,19,21).
What are the key properties of 5-chloro-N-(3-chlorophenyl)-4,6-dimethyl-[1,2]oxazolo[5,4-b]pyridine-3-carboxamide?
5-chloro-N-(3-chlorophenyl)-4,6-dimethyl-[1,2]oxazolo[5,4-b]pyridine-3-carboxamide has a molecular weight of 336.18 g/mol, XLogP of 4.40, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(3-chlorophenyl)-4,6-dimethyl-[1,2]oxazolo[5,4-b]pyridine-3-carboxamide is sourced from PubChem (CID 142769243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).