[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl] 2-chlorobenzoate

C13H11ClN2O4 — CID 2467590

IUPAC[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl] 2-chlorobenzoate
SMILESCc1cc(NC(=O)COC(=O)c2ccccc2Cl)no1
InChIInChI=1S/C13H11ClN2O4/c1-8-6-11(16-20-8)15-12(17)7-19-13(18)9-4-2-3-5-10(9)14/h2-6H,7H2,1H3,(H,15,16,17)
InChIKeyHGQIZPPTCBXDFH-UHFFFAOYSA-N
MW294.69 g/mol
LogP2.43
Rot. Bonds4

About [2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl] 2-chlorobenzoate

[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl] 2-chlorobenzoate (PubChem CID 2467590) has the molecular formula C13H11ClN2O4 and a molecular weight of 294.69 g/mol. Its IUPAC name is [2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl] 2-chlorobenzoate.

Molecular Properties

Compound Name[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl] 2-chlorobenzoate
PubChem CID2467590
Molecular FormulaC13H11ClN2O4
Molecular Weight294.69 g/mol
Exact Mass294.04
IUPAC Name[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl] 2-chlorobenzoate
SMILESCc1cc(NC(=O)COC(=O)c2ccccc2Cl)no1
InChIInChI=1S/C13H11ClN2O4/c1-8-6-11(16-20-8)15-12(17)7-19-13(18)9-4-2-3-5-10(9)14/h2-6H,7H2,1H3,(H,15,16,17)
InChIKeyHGQIZPPTCBXDFH-UHFFFAOYSA-N
XLogP2.43
TPSA81.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.69
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl] 2-chlorobenzoate 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-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl] 2-chlorobenzoate?
The IUPAC name of [2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl] 2-chlorobenzoate (CID 2467590) is [2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl] 2-chlorobenzoate.
What is the SMILES notation for [2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl] 2-chlorobenzoate?
The canonical SMILES for [2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl] 2-chlorobenzoate is Cc1cc(NC(=O)COC(=O)c2ccccc2Cl)no1.
What is the InChIKey of [2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl] 2-chlorobenzoate?
The InChIKey is HGQIZPPTCBXDFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11ClN2O4/c1-8-6-11(16-20-8)15-12(17)7-19-13(18)9-4-2-3-5-10(9)14/h2-6H,7H2,1H3,(H,15,16,17).
What are the key properties of [2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl] 2-chlorobenzoate?
[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl] 2-chlorobenzoate has a molecular weight of 294.69 g/mol, XLogP of 2.43, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl] 2-chlorobenzoate is sourced from PubChem (CID 2467590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).