[2-(5-chloro-2-methoxyanilino)-2-oxoethyl] 5-methyl-3-phenyl-1,2-oxazole-4-carboxylate

C20H17ClN2O5 — CID 2614546

IUPAC[2-(5-chloro-2-methoxyanilino)-2-oxoethyl] 5-methyl-3-phenyl-1,2-oxazole-4-carboxylate
SMILESCOc1ccc(Cl)cc1NC(=O)COC(=O)c1c(-c2ccccc2)noc1C
InChIInChI=1S/C20H17ClN2O5/c1-12-18(19(23-28-12)13-6-4-3-5-7-13)20(25)27-11-17(24)22-15-10-14(21)8-9-16(15)26-2/h3-10H,11H2,1-2H3,(H,22,24)
InChIKeyJNJQJTZVIHMHBZ-UHFFFAOYSA-N
MW400.82 g/mol
LogP4.11
Rot. Bonds6

About [2-(5-chloro-2-methoxyanilino)-2-oxoethyl] 5-methyl-3-phenyl-1,2-oxazole-4-carboxylate

[2-(5-chloro-2-methoxyanilino)-2-oxoethyl] 5-methyl-3-phenyl-1,2-oxazole-4-carboxylate (PubChem CID 2614546) has the molecular formula C20H17ClN2O5 and a molecular weight of 400.82 g/mol. Its IUPAC name is [2-(5-chloro-2-methoxyanilino)-2-oxoethyl] 5-methyl-3-phenyl-1,2-oxazole-4-carboxylate.

Molecular Properties

Compound Name[2-(5-chloro-2-methoxyanilino)-2-oxoethyl] 5-methyl-3-phenyl-1,2-oxazole-4-carboxylate
PubChem CID2614546
Molecular FormulaC20H17ClN2O5
Molecular Weight400.82 g/mol
Exact Mass400.08
IUPAC Name[2-(5-chloro-2-methoxyanilino)-2-oxoethyl] 5-methyl-3-phenyl-1,2-oxazole-4-carboxylate
SMILESCOc1ccc(Cl)cc1NC(=O)COC(=O)c1c(-c2ccccc2)noc1C
InChIInChI=1S/C20H17ClN2O5/c1-12-18(19(23-28-12)13-6-4-3-5-7-13)20(25)27-11-17(24)22-15-10-14(21)8-9-16(15)26-2/h3-10H,11H2,1-2H3,(H,22,24)
InChIKeyJNJQJTZVIHMHBZ-UHFFFAOYSA-N
XLogP4.11
TPSA90.66 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.82
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze [2-(5-chloro-2-methoxyanilino)-2-oxoethyl] 5-methyl-3-phenyl-1,2-oxazole-4-carboxylate 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

CID 16018404
CID 16018404
CID 1369060
CID 1369060
CID 2197808
CID 2197808
CID 1093727
CID 1093727
CID 1118257
CID 1118257
CID 1129476
CID 1129476
CID 1326689
CID 1326689
CID 1192732
CID 1192732
CID 1246987
CID 1246987
CID 2614419
CID 2614419
CID 4828962
CID 4828962
CID 5243996
CID 5243996

Frequently Asked Questions

What is the IUPAC name of [2-(5-chloro-2-methoxyanilino)-2-oxoethyl] 5-methyl-3-phenyl-1,2-oxazole-4-carboxylate?
The IUPAC name of [2-(5-chloro-2-methoxyanilino)-2-oxoethyl] 5-methyl-3-phenyl-1,2-oxazole-4-carboxylate (CID 2614546) is [2-(5-chloro-2-methoxyanilino)-2-oxoethyl] 5-methyl-3-phenyl-1,2-oxazole-4-carboxylate.
What is the SMILES notation for [2-(5-chloro-2-methoxyanilino)-2-oxoethyl] 5-methyl-3-phenyl-1,2-oxazole-4-carboxylate?
The canonical SMILES for [2-(5-chloro-2-methoxyanilino)-2-oxoethyl] 5-methyl-3-phenyl-1,2-oxazole-4-carboxylate is COc1ccc(Cl)cc1NC(=O)COC(=O)c1c(-c2ccccc2)noc1C.
What is the InChIKey of [2-(5-chloro-2-methoxyanilino)-2-oxoethyl] 5-methyl-3-phenyl-1,2-oxazole-4-carboxylate?
The InChIKey is JNJQJTZVIHMHBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17ClN2O5/c1-12-18(19(23-28-12)13-6-4-3-5-7-13)20(25)27-11-17(24)22-15-10-14(21)8-9-16(15)26-2/h3-10H,11H2,1-2H3,(H,22,24).
What are the key properties of [2-(5-chloro-2-methoxyanilino)-2-oxoethyl] 5-methyl-3-phenyl-1,2-oxazole-4-carboxylate?
[2-(5-chloro-2-methoxyanilino)-2-oxoethyl] 5-methyl-3-phenyl-1,2-oxazole-4-carboxylate has a molecular weight of 400.82 g/mol, XLogP of 4.11, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(5-chloro-2-methoxyanilino)-2-oxoethyl] 5-methyl-3-phenyl-1,2-oxazole-4-carboxylate is sourced from PubChem (CID 2614546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).