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

C17H12Cl2N2O3 — CID 17252987

IUPACN-(5-chloro-2-methoxyphenyl)-5-(3-chlorophenyl)-1,2-oxazole-3-carboxamide
SMILESCOc1ccc(Cl)cc1NC(=O)c1cc(-c2cccc(Cl)c2)on1
InChIInChI=1S/C17H12Cl2N2O3/c1-23-15-6-5-12(19)8-13(15)20-17(22)14-9-16(24-21-14)10-3-2-4-11(18)7-10/h2-9H,1H3,(H,20,22)
InChIKeyKZBYQORWLXTYAZ-UHFFFAOYSA-N
MW363.20 g/mol
LogP4.91
Rot. Bonds4

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

N-(5-chloro-2-methoxyphenyl)-5-(3-chlorophenyl)-1,2-oxazole-3-carboxamide (PubChem CID 17252987) has the molecular formula C17H12Cl2N2O3 and a molecular weight of 363.20 g/mol. Its IUPAC name is N-(5-chloro-2-methoxyphenyl)-5-(3-chlorophenyl)-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-(5-chloro-2-methoxyphenyl)-5-(3-chlorophenyl)-1,2-oxazole-3-carboxamide
PubChem CID17252987
Molecular FormulaC17H12Cl2N2O3
Molecular Weight363.20 g/mol
Exact Mass362.02
IUPAC NameN-(5-chloro-2-methoxyphenyl)-5-(3-chlorophenyl)-1,2-oxazole-3-carboxamide
SMILESCOc1ccc(Cl)cc1NC(=O)c1cc(-c2cccc(Cl)c2)on1
InChIInChI=1S/C17H12Cl2N2O3/c1-23-15-6-5-12(19)8-13(15)20-17(22)14-9-16(24-21-14)10-3-2-4-11(18)7-10/h2-9H,1H3,(H,20,22)
InChIKeyKZBYQORWLXTYAZ-UHFFFAOYSA-N
XLogP4.91
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.20
LogP ≤ 54.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(5-chloro-2-methoxyphenyl)-5-(3-methylphenyl)-1,2-oxazole-3-carboxamide
CID 159062003
5-(3-chlorophenyl)-N-(2,5-dimethoxyphenyl)-1,2-oxazole-3-carboxamide
CID 46417352
5-(3-chlorophenyl)-N-[2-(2-methoxy-5-methylanilino)-2-oxoethyl]-1,2-oxazole-3-carboxamide
CID 37344228
N-(3-chlorophenyl)-5-(3,4-dimethoxyphenyl)-1,2-oxazole-3-carboxamide
CID 15997665
N-(5-chloro-2-methoxyphenyl)-5-(3-chlorophenyl)-1,3,4-oxadiazole-2-carboxamide
CID 110391442
N-(5-chloro-2,4-dimethoxyphenyl)-5-(4-chlorophenyl)-1,2-oxazole-3-carboxamide
CID 26052595
N-(5-chloro-2-methoxyphenyl)-5-(2-methylpropyl)-1,2-oxazole-3-carboxamide
CID 17253345
N-(2,5-dichlorophenyl)-5-(4-methoxyphenyl)-1,2-oxazole-3-carboxamide
CID 17252836
N-(5-chloro-2-methyl-3-pyridinyl)-5-(3-hydroxy-4-methoxyphenyl)-1,2-oxazole-3-carboxamide
CID 75204528
5-(3-chlorophenyl)-N-[(2S)-1-methoxypropan-2-yl]-1,2-oxazole-3-carboxamide
CID 41098517
N-(5-chloro-2-hydroxyphenyl)-5-(2,5-dimethoxyphenyl)-1,2-oxazole-3-carboxamide
CID 49081050
N-(5-chloro-2-methoxyphenyl)-3-methoxy-1,2-oxazole-5-carboxamide
CID 71802469

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-methoxyphenyl)-5-(3-chlorophenyl)-1,2-oxazole-3-carboxamide?
The IUPAC name of N-(5-chloro-2-methoxyphenyl)-5-(3-chlorophenyl)-1,2-oxazole-3-carboxamide (CID 17252987) is N-(5-chloro-2-methoxyphenyl)-5-(3-chlorophenyl)-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-(5-chloro-2-methoxyphenyl)-5-(3-chlorophenyl)-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-(5-chloro-2-methoxyphenyl)-5-(3-chlorophenyl)-1,2-oxazole-3-carboxamide is COc1ccc(Cl)cc1NC(=O)c1cc(-c2cccc(Cl)c2)on1.
What is the InChIKey of N-(5-chloro-2-methoxyphenyl)-5-(3-chlorophenyl)-1,2-oxazole-3-carboxamide?
The InChIKey is KZBYQORWLXTYAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12Cl2N2O3/c1-23-15-6-5-12(19)8-13(15)20-17(22)14-9-16(24-21-14)10-3-2-4-11(18)7-10/h2-9H,1H3,(H,20,22).
What are the key properties of N-(5-chloro-2-methoxyphenyl)-5-(3-chlorophenyl)-1,2-oxazole-3-carboxamide?
N-(5-chloro-2-methoxyphenyl)-5-(3-chlorophenyl)-1,2-oxazole-3-carboxamide has a molecular weight of 363.20 g/mol, XLogP of 4.91, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-methoxyphenyl)-5-(3-chlorophenyl)-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 17252987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).