ethyl 4-[[3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]amino]benzoate

C20H17ClN2O4 — CID 985377

IUPACethyl 4-[[3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]amino]benzoate
SMILESCCOC(=O)c1ccc(NC(=O)c2c(-c3ccccc3Cl)noc2C)cc1
InChIInChI=1S/C20H17ClN2O4/c1-3-26-20(25)13-8-10-14(11-9-13)22-19(24)17-12(2)27-23-18(17)15-6-4-5-7-16(15)21/h4-11H,3H2,1-2H3,(H,22,24)
InChIKeyAESRNHRINLCZHF-UHFFFAOYSA-N
MW384.82 g/mol
LogP4.73
Rot. Bonds5

About ethyl 4-[[3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]amino]benzoate

ethyl 4-[[3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]amino]benzoate (PubChem CID 985377) has the molecular formula C20H17ClN2O4 and a molecular weight of 384.82 g/mol. Its IUPAC name is ethyl 4-[[3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]amino]benzoate.

Molecular Properties

Compound Nameethyl 4-[[3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]amino]benzoate
PubChem CID985377
Molecular FormulaC20H17ClN2O4
Molecular Weight384.82 g/mol
Exact Mass384.09
IUPAC Nameethyl 4-[[3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]amino]benzoate
SMILESCCOC(=O)c1ccc(NC(=O)c2c(-c3ccccc3Cl)noc2C)cc1
InChIInChI=1S/C20H17ClN2O4/c1-3-26-20(25)13-8-10-14(11-9-13)22-19(24)17-12(2)27-23-18(17)15-6-4-5-7-16(15)21/h4-11H,3H2,1-2H3,(H,22,24)
InChIKeyAESRNHRINLCZHF-UHFFFAOYSA-N
XLogP4.73
TPSA81.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.82
LogP ≤ 54.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-[[3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]amino]benzoate?
The IUPAC name of ethyl 4-[[3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]amino]benzoate (CID 985377) is ethyl 4-[[3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]amino]benzoate.
What is the SMILES notation for ethyl 4-[[3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]amino]benzoate?
The canonical SMILES for ethyl 4-[[3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]amino]benzoate is CCOC(=O)c1ccc(NC(=O)c2c(-c3ccccc3Cl)noc2C)cc1.
What is the InChIKey of ethyl 4-[[3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]amino]benzoate?
The InChIKey is AESRNHRINLCZHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17ClN2O4/c1-3-26-20(25)13-8-10-14(11-9-13)22-19(24)17-12(2)27-23-18(17)15-6-4-5-7-16(15)21/h4-11H,3H2,1-2H3,(H,22,24).
What are the key properties of ethyl 4-[[3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]amino]benzoate?
ethyl 4-[[3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]amino]benzoate has a molecular weight of 384.82 g/mol, XLogP of 4.73, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[[3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]amino]benzoate is sourced from PubChem (CID 985377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).