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

C18H15ClN2O4 — CID 46417352

IUPAC5-(3-chlorophenyl)-N-(2,5-dimethoxyphenyl)-1,2-oxazole-3-carboxamide
SMILESCOc1ccc(OC)c(NC(=O)c2cc(-c3cccc(Cl)c3)on2)c1
InChIInChI=1S/C18H15ClN2O4/c1-23-13-6-7-16(24-2)14(9-13)20-18(22)15-10-17(25-21-15)11-4-3-5-12(19)8-11/h3-10H,1-2H3,(H,20,22)
InChIKeyRGMDONFFYKBVDO-UHFFFAOYSA-N
MW358.78 g/mol
LogP4.26
Rot. Bonds5

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

5-(3-chlorophenyl)-N-(2,5-dimethoxyphenyl)-1,2-oxazole-3-carboxamide (PubChem CID 46417352) has the molecular formula C18H15ClN2O4 and a molecular weight of 358.78 g/mol. Its IUPAC name is 5-(3-chlorophenyl)-N-(2,5-dimethoxyphenyl)-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound Name5-(3-chlorophenyl)-N-(2,5-dimethoxyphenyl)-1,2-oxazole-3-carboxamide
PubChem CID46417352
Molecular FormulaC18H15ClN2O4
Molecular Weight358.78 g/mol
Exact Mass358.07
IUPAC Name5-(3-chlorophenyl)-N-(2,5-dimethoxyphenyl)-1,2-oxazole-3-carboxamide
SMILESCOc1ccc(OC)c(NC(=O)c2cc(-c3cccc(Cl)c3)on2)c1
InChIInChI=1S/C18H15ClN2O4/c1-23-13-6-7-16(24-2)14(9-13)20-18(22)15-10-17(25-21-15)11-4-3-5-12(19)8-11/h3-10H,1-2H3,(H,20,22)
InChIKeyRGMDONFFYKBVDO-UHFFFAOYSA-N
XLogP4.26
TPSA73.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.78
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(5-chloro-2-methoxyphenyl)-5-(3-chlorophenyl)-1,2-oxazole-3-carboxamide
CID 17252987
N-(5-chloro-2-methoxyphenyl)-5-(3-methylphenyl)-1,2-oxazole-3-carboxamide
CID 159062003
5-(3-chlorophenyl)-N-[2-(2-methoxy-5-methylanilino)-2-oxoethyl]-1,2-oxazole-3-carboxamide
CID 37344228
N-(2,5-dimethoxyphenyl)-5-(furan-2-yl)-1,2-oxazole-3-carboxamide
CID 24663728
N-(3-chlorophenyl)-5-(3,4-dimethoxyphenyl)-1,2-oxazole-3-carboxamide
CID 15997665
N-(2,5-dimethoxyphenyl)-5-[(2S)-2-methyl-2,3-dihydro-1-benzofuran-5-yl]-1,2-oxazole-3-carboxamide
CID 35572735
N-(5-chloro-2-hydroxyphenyl)-5-(2,5-dimethoxyphenyl)-1,2-oxazole-3-carboxamide
CID 49081050
N-(2,5-dichlorophenyl)-5-(4-methoxyphenyl)-1,2-oxazole-3-carboxamide
CID 17252836
N-(2,4-difluorophenyl)-5-(3-methoxyphenyl)-1,2-oxazole-3-carboxamide
CID 4519031
methyl 3-(3-chlorophenyl)-5-(2,5-dimethoxyanilino)-1,2-oxazole-4-carboxylate
CID 53022279
N-(5-chloro-2,4-dimethoxyphenyl)-5-(4-chlorophenyl)-1,2-oxazole-3-carboxamide
CID 26052595
methyl 6-[(2,5-dimethoxyphenyl)carbamoyl]pyridine-2-carboxylate
CID 46394490

Frequently Asked Questions

What is the IUPAC name of 5-(3-chlorophenyl)-N-(2,5-dimethoxyphenyl)-1,2-oxazole-3-carboxamide?
The IUPAC name of 5-(3-chlorophenyl)-N-(2,5-dimethoxyphenyl)-1,2-oxazole-3-carboxamide (CID 46417352) is 5-(3-chlorophenyl)-N-(2,5-dimethoxyphenyl)-1,2-oxazole-3-carboxamide.
What is the SMILES notation for 5-(3-chlorophenyl)-N-(2,5-dimethoxyphenyl)-1,2-oxazole-3-carboxamide?
The canonical SMILES for 5-(3-chlorophenyl)-N-(2,5-dimethoxyphenyl)-1,2-oxazole-3-carboxamide is COc1ccc(OC)c(NC(=O)c2cc(-c3cccc(Cl)c3)on2)c1.
What is the InChIKey of 5-(3-chlorophenyl)-N-(2,5-dimethoxyphenyl)-1,2-oxazole-3-carboxamide?
The InChIKey is RGMDONFFYKBVDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15ClN2O4/c1-23-13-6-7-16(24-2)14(9-13)20-18(22)15-10-17(25-21-15)11-4-3-5-12(19)8-11/h3-10H,1-2H3,(H,20,22).
What are the key properties of 5-(3-chlorophenyl)-N-(2,5-dimethoxyphenyl)-1,2-oxazole-3-carboxamide?
5-(3-chlorophenyl)-N-(2,5-dimethoxyphenyl)-1,2-oxazole-3-carboxamide has a molecular weight of 358.78 g/mol, XLogP of 4.26, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-chlorophenyl)-N-(2,5-dimethoxyphenyl)-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 46417352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).