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

C20H18N2O4 — CID 2614432

IUPAC[2-(2-methylanilino)-2-oxoethyl] 5-methyl-3-phenyl-1,2-oxazole-4-carboxylate
SMILESCc1ccccc1NC(=O)COC(=O)c1c(-c2ccccc2)noc1C
InChIInChI=1S/C20H18N2O4/c1-13-8-6-7-11-16(13)21-17(23)12-25-20(24)18-14(2)26-22-19(18)15-9-4-3-5-10-15/h3-11H,12H2,1-2H3,(H,21,23)
InChIKeyVPDLWHAFHHKJLM-UHFFFAOYSA-N
MW350.37 g/mol
LogP3.75
Rot. Bonds5

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

[2-(2-methylanilino)-2-oxoethyl] 5-methyl-3-phenyl-1,2-oxazole-4-carboxylate (PubChem CID 2614432) has the molecular formula C20H18N2O4 and a molecular weight of 350.37 g/mol. Its IUPAC name is [2-(2-methylanilino)-2-oxoethyl] 5-methyl-3-phenyl-1,2-oxazole-4-carboxylate.

Molecular Properties

Compound Name[2-(2-methylanilino)-2-oxoethyl] 5-methyl-3-phenyl-1,2-oxazole-4-carboxylate
PubChem CID2614432
Molecular FormulaC20H18N2O4
Molecular Weight350.37 g/mol
Exact Mass350.13
IUPAC Name[2-(2-methylanilino)-2-oxoethyl] 5-methyl-3-phenyl-1,2-oxazole-4-carboxylate
SMILESCc1ccccc1NC(=O)COC(=O)c1c(-c2ccccc2)noc1C
InChIInChI=1S/C20H18N2O4/c1-13-8-6-7-11-16(13)21-17(23)12-25-20(24)18-14(2)26-22-19(18)15-9-4-3-5-10-15/h3-11H,12H2,1-2H3,(H,21,23)
InChIKeyVPDLWHAFHHKJLM-UHFFFAOYSA-N
XLogP3.75
TPSA81.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.37
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [2-(2-methylanilino)-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

Frequently Asked Questions

What is the IUPAC name of [2-(2-methylanilino)-2-oxoethyl] 5-methyl-3-phenyl-1,2-oxazole-4-carboxylate?
The IUPAC name of [2-(2-methylanilino)-2-oxoethyl] 5-methyl-3-phenyl-1,2-oxazole-4-carboxylate (CID 2614432) is [2-(2-methylanilino)-2-oxoethyl] 5-methyl-3-phenyl-1,2-oxazole-4-carboxylate.
What is the SMILES notation for [2-(2-methylanilino)-2-oxoethyl] 5-methyl-3-phenyl-1,2-oxazole-4-carboxylate?
The canonical SMILES for [2-(2-methylanilino)-2-oxoethyl] 5-methyl-3-phenyl-1,2-oxazole-4-carboxylate is Cc1ccccc1NC(=O)COC(=O)c1c(-c2ccccc2)noc1C.
What is the InChIKey of [2-(2-methylanilino)-2-oxoethyl] 5-methyl-3-phenyl-1,2-oxazole-4-carboxylate?
The InChIKey is VPDLWHAFHHKJLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N2O4/c1-13-8-6-7-11-16(13)21-17(23)12-25-20(24)18-14(2)26-22-19(18)15-9-4-3-5-10-15/h3-11H,12H2,1-2H3,(H,21,23).
What are the key properties of [2-(2-methylanilino)-2-oxoethyl] 5-methyl-3-phenyl-1,2-oxazole-4-carboxylate?
[2-(2-methylanilino)-2-oxoethyl] 5-methyl-3-phenyl-1,2-oxazole-4-carboxylate has a molecular weight of 350.37 g/mol, XLogP of 3.75, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-methylanilino)-2-oxoethyl] 5-methyl-3-phenyl-1,2-oxazole-4-carboxylate is sourced from PubChem (CID 2614432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).