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

C19H15ClN2O4 — CID 2614486

IUPAC[2-(3-chloroanilino)-2-oxoethyl] 5-methyl-3-phenyl-1,2-oxazole-4-carboxylate
SMILESCc1onc(-c2ccccc2)c1C(=O)OCC(=O)Nc1cccc(Cl)c1
InChIInChI=1S/C19H15ClN2O4/c1-12-17(18(22-26-12)13-6-3-2-4-7-13)19(24)25-11-16(23)21-15-9-5-8-14(20)10-15/h2-10H,11H2,1H3,(H,21,23)
InChIKeyBGEISHFNAZVFRS-UHFFFAOYSA-N
MW370.79 g/mol
LogP4.10
Rot. Bonds5

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

[2-(3-chloroanilino)-2-oxoethyl] 5-methyl-3-phenyl-1,2-oxazole-4-carboxylate (PubChem CID 2614486) has the molecular formula C19H15ClN2O4 and a molecular weight of 370.79 g/mol. Its IUPAC name is [2-(3-chloroanilino)-2-oxoethyl] 5-methyl-3-phenyl-1,2-oxazole-4-carboxylate.

Molecular Properties

Compound Name[2-(3-chloroanilino)-2-oxoethyl] 5-methyl-3-phenyl-1,2-oxazole-4-carboxylate
PubChem CID2614486
Molecular FormulaC19H15ClN2O4
Molecular Weight370.79 g/mol
Exact Mass370.07
IUPAC Name[2-(3-chloroanilino)-2-oxoethyl] 5-methyl-3-phenyl-1,2-oxazole-4-carboxylate
SMILESCc1onc(-c2ccccc2)c1C(=O)OCC(=O)Nc1cccc(Cl)c1
InChIInChI=1S/C19H15ClN2O4/c1-12-17(18(22-26-12)13-6-3-2-4-7-13)19(24)25-11-16(23)21-15-9-5-8-14(20)10-15/h2-10H,11H2,1H3,(H,21,23)
InChIKeyBGEISHFNAZVFRS-UHFFFAOYSA-N
XLogP4.10
TPSA81.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.79
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [2-(3-chloroanilino)-2-oxoethyl] 5-methyl-3-phenyl-1,2-oxazole-4-carboxylate?
The IUPAC name of [2-(3-chloroanilino)-2-oxoethyl] 5-methyl-3-phenyl-1,2-oxazole-4-carboxylate (CID 2614486) is [2-(3-chloroanilino)-2-oxoethyl] 5-methyl-3-phenyl-1,2-oxazole-4-carboxylate.
What is the SMILES notation for [2-(3-chloroanilino)-2-oxoethyl] 5-methyl-3-phenyl-1,2-oxazole-4-carboxylate?
The canonical SMILES for [2-(3-chloroanilino)-2-oxoethyl] 5-methyl-3-phenyl-1,2-oxazole-4-carboxylate is Cc1onc(-c2ccccc2)c1C(=O)OCC(=O)Nc1cccc(Cl)c1.
What is the InChIKey of [2-(3-chloroanilino)-2-oxoethyl] 5-methyl-3-phenyl-1,2-oxazole-4-carboxylate?
The InChIKey is BGEISHFNAZVFRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15ClN2O4/c1-12-17(18(22-26-12)13-6-3-2-4-7-13)19(24)25-11-16(23)21-15-9-5-8-14(20)10-15/h2-10H,11H2,1H3,(H,21,23).
What are the key properties of [2-(3-chloroanilino)-2-oxoethyl] 5-methyl-3-phenyl-1,2-oxazole-4-carboxylate?
[2-(3-chloroanilino)-2-oxoethyl] 5-methyl-3-phenyl-1,2-oxazole-4-carboxylate has a molecular weight of 370.79 g/mol, XLogP of 4.10, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3-chloroanilino)-2-oxoethyl] 5-methyl-3-phenyl-1,2-oxazole-4-carboxylate is sourced from PubChem (CID 2614486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).