5-(3-chlorophenyl)-N-[2-(2-methoxy-5-methylanilino)-2-oxoethyl]-1,2-oxazole-3-carboxamide

C20H18ClN3O4 — CID 37344228

IUPAC5-(3-chlorophenyl)-N-[2-(2-methoxy-5-methylanilino)-2-oxoethyl]-1,2-oxazole-3-carboxamide
SMILESCOc1ccc(C)cc1NC(=O)CNC(=O)c1cc(-c2cccc(Cl)c2)on1
InChIInChI=1S/C20H18ClN3O4/c1-12-6-7-17(27-2)15(8-12)23-19(25)11-22-20(26)16-10-18(28-24-16)13-4-3-5-14(21)9-13/h3-10H,11H2,1-2H3,(H,22,26)(H,23,25)
InChIKeyIXVHYXAFLGQILB-UHFFFAOYSA-N
MW399.83 g/mol
LogP3.68
Rot. Bonds6

About 5-(3-chlorophenyl)-N-[2-(2-methoxy-5-methylanilino)-2-oxoethyl]-1,2-oxazole-3-carboxamide

5-(3-chlorophenyl)-N-[2-(2-methoxy-5-methylanilino)-2-oxoethyl]-1,2-oxazole-3-carboxamide (PubChem CID 37344228) has the molecular formula C20H18ClN3O4 and a molecular weight of 399.83 g/mol. Its IUPAC name is 5-(3-chlorophenyl)-N-[2-(2-methoxy-5-methylanilino)-2-oxoethyl]-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound Name5-(3-chlorophenyl)-N-[2-(2-methoxy-5-methylanilino)-2-oxoethyl]-1,2-oxazole-3-carboxamide
PubChem CID37344228
Molecular FormulaC20H18ClN3O4
Molecular Weight399.83 g/mol
Exact Mass399.10
IUPAC Name5-(3-chlorophenyl)-N-[2-(2-methoxy-5-methylanilino)-2-oxoethyl]-1,2-oxazole-3-carboxamide
SMILESCOc1ccc(C)cc1NC(=O)CNC(=O)c1cc(-c2cccc(Cl)c2)on1
InChIInChI=1S/C20H18ClN3O4/c1-12-6-7-17(27-2)15(8-12)23-19(25)11-22-20(26)16-10-18(28-24-16)13-4-3-5-14(21)9-13/h3-10H,11H2,1-2H3,(H,22,26)(H,23,25)
InChIKeyIXVHYXAFLGQILB-UHFFFAOYSA-N
XLogP3.68
TPSA93.46 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.83
LogP ≤ 53.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 5-(3-chlorophenyl)-N-[2-(2-methoxy-5-methylanilino)-2-oxoethyl]-1,2-oxazole-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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-(2,5-dimethoxyphenyl)-1,2-oxazole-3-carboxamide
CID 46417352
2-[[5-(3-chlorophenyl)-1,3-oxazol-2-yl]sulfanyl]-N-(2-methoxy-5-methylphenyl)acetamide
CID 50773610
N-(3-chlorophenyl)-5-(3,4-dimethoxyphenyl)-1,2-oxazole-3-carboxamide
CID 15997665
5-(3-chlorophenyl)-N-(2-hydroxyethyl)-1,2-oxazole-3-carboxamide
CID 78862555
N-[2-(2-methoxy-5-methylanilino)-2-oxoethyl]benzamide
CID 9215526
1-(3-chlorophenyl)-5-ethyl-N-[2-(2-methoxy-5-methylanilino)-2-oxoethyl]pyrazole-4-carboxamide
CID 46589827
N-[2-(2-methoxy-5-methylanilino)-2-oxoethyl]-1-benzothiophene-2-carboxamide
CID 24673618
N-[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-2-methoxybenzamide
CID 26582702
N-[2-(2-methoxy-5-methylanilino)-2-oxoethyl]-2-methylbenzamide
CID 28917301
N-[2-(2-ethylanilino)-2-oxoethyl]-5-phenyl-1,2-oxazole-3-carboxamide
CID 51262131

Frequently Asked Questions

What is the IUPAC name of 5-(3-chlorophenyl)-N-[2-(2-methoxy-5-methylanilino)-2-oxoethyl]-1,2-oxazole-3-carboxamide?
The IUPAC name of 5-(3-chlorophenyl)-N-[2-(2-methoxy-5-methylanilino)-2-oxoethyl]-1,2-oxazole-3-carboxamide (CID 37344228) is 5-(3-chlorophenyl)-N-[2-(2-methoxy-5-methylanilino)-2-oxoethyl]-1,2-oxazole-3-carboxamide.
What is the SMILES notation for 5-(3-chlorophenyl)-N-[2-(2-methoxy-5-methylanilino)-2-oxoethyl]-1,2-oxazole-3-carboxamide?
The canonical SMILES for 5-(3-chlorophenyl)-N-[2-(2-methoxy-5-methylanilino)-2-oxoethyl]-1,2-oxazole-3-carboxamide is COc1ccc(C)cc1NC(=O)CNC(=O)c1cc(-c2cccc(Cl)c2)on1.
What is the InChIKey of 5-(3-chlorophenyl)-N-[2-(2-methoxy-5-methylanilino)-2-oxoethyl]-1,2-oxazole-3-carboxamide?
The InChIKey is IXVHYXAFLGQILB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18ClN3O4/c1-12-6-7-17(27-2)15(8-12)23-19(25)11-22-20(26)16-10-18(28-24-16)13-4-3-5-14(21)9-13/h3-10H,11H2,1-2H3,(H,22,26)(H,23,25).
What are the key properties of 5-(3-chlorophenyl)-N-[2-(2-methoxy-5-methylanilino)-2-oxoethyl]-1,2-oxazole-3-carboxamide?
5-(3-chlorophenyl)-N-[2-(2-methoxy-5-methylanilino)-2-oxoethyl]-1,2-oxazole-3-carboxamide has a molecular weight of 399.83 g/mol, XLogP of 3.68, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-chlorophenyl)-N-[2-(2-methoxy-5-methylanilino)-2-oxoethyl]-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 37344228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).