[2-(4-chloro-2-methylanilino)-2-oxoethyl] 3,5-dimethyl-1,2-oxazole-4-carboxylate

C15H15ClN2O4 — CID 2681387

IUPAC[2-(4-chloro-2-methylanilino)-2-oxoethyl] 3,5-dimethyl-1,2-oxazole-4-carboxylate
SMILESCc1cc(Cl)ccc1NC(=O)COC(=O)c1c(C)noc1C
InChIInChI=1S/C15H15ClN2O4/c1-8-6-11(16)4-5-12(8)17-13(19)7-21-15(20)14-9(2)18-22-10(14)3/h4-6H,7H2,1-3H3,(H,17,19)
InChIKeyFDNDTWUACBYTEX-UHFFFAOYSA-N
MW322.75 g/mol
LogP3.05
Rot. Bonds4

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

[2-(4-chloro-2-methylanilino)-2-oxoethyl] 3,5-dimethyl-1,2-oxazole-4-carboxylate (PubChem CID 2681387) has the molecular formula C15H15ClN2O4 and a molecular weight of 322.75 g/mol. Its IUPAC name is [2-(4-chloro-2-methylanilino)-2-oxoethyl] 3,5-dimethyl-1,2-oxazole-4-carboxylate.

Molecular Properties

Compound Name[2-(4-chloro-2-methylanilino)-2-oxoethyl] 3,5-dimethyl-1,2-oxazole-4-carboxylate
PubChem CID2681387
Molecular FormulaC15H15ClN2O4
Molecular Weight322.75 g/mol
Exact Mass322.07
IUPAC Name[2-(4-chloro-2-methylanilino)-2-oxoethyl] 3,5-dimethyl-1,2-oxazole-4-carboxylate
SMILESCc1cc(Cl)ccc1NC(=O)COC(=O)c1c(C)noc1C
InChIInChI=1S/C15H15ClN2O4/c1-8-6-11(16)4-5-12(8)17-13(19)7-21-15(20)14-9(2)18-22-10(14)3/h4-6H,7H2,1-3H3,(H,17,19)
InChIKeyFDNDTWUACBYTEX-UHFFFAOYSA-N
XLogP3.05
TPSA81.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.75
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [2-(4-chloro-2-methylanilino)-2-oxoethyl] 3,5-dimethyl-1,2-oxazole-4-carboxylate?
The IUPAC name of [2-(4-chloro-2-methylanilino)-2-oxoethyl] 3,5-dimethyl-1,2-oxazole-4-carboxylate (CID 2681387) is [2-(4-chloro-2-methylanilino)-2-oxoethyl] 3,5-dimethyl-1,2-oxazole-4-carboxylate.
What is the SMILES notation for [2-(4-chloro-2-methylanilino)-2-oxoethyl] 3,5-dimethyl-1,2-oxazole-4-carboxylate?
The canonical SMILES for [2-(4-chloro-2-methylanilino)-2-oxoethyl] 3,5-dimethyl-1,2-oxazole-4-carboxylate is Cc1cc(Cl)ccc1NC(=O)COC(=O)c1c(C)noc1C.
What is the InChIKey of [2-(4-chloro-2-methylanilino)-2-oxoethyl] 3,5-dimethyl-1,2-oxazole-4-carboxylate?
The InChIKey is FDNDTWUACBYTEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClN2O4/c1-8-6-11(16)4-5-12(8)17-13(19)7-21-15(20)14-9(2)18-22-10(14)3/h4-6H,7H2,1-3H3,(H,17,19).
What are the key properties of [2-(4-chloro-2-methylanilino)-2-oxoethyl] 3,5-dimethyl-1,2-oxazole-4-carboxylate?
[2-(4-chloro-2-methylanilino)-2-oxoethyl] 3,5-dimethyl-1,2-oxazole-4-carboxylate has a molecular weight of 322.75 g/mol, XLogP of 3.05, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-chloro-2-methylanilino)-2-oxoethyl] 3,5-dimethyl-1,2-oxazole-4-carboxylate is sourced from PubChem (CID 2681387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).