[2-[(4-chlorophenyl)methylamino]-2-oxoethyl] 3,5-dimethyl-1,2-oxazole-4-carboxylate

C15H15ClN2O4 — CID 2681595

IUPAC[2-[(4-chlorophenyl)methylamino]-2-oxoethyl] 3,5-dimethyl-1,2-oxazole-4-carboxylate
SMILESCc1noc(C)c1C(=O)OCC(=O)NCc1ccc(Cl)cc1
InChIInChI=1S/C15H15ClN2O4/c1-9-14(10(2)22-18-9)15(20)21-8-13(19)17-7-11-3-5-12(16)6-4-11/h3-6H,7-8H2,1-2H3,(H,17,19)
InChIKeyXADIUONAQLRISD-UHFFFAOYSA-N
MW322.75 g/mol
LogP2.42
Rot. Bonds5

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

[2-[(4-chlorophenyl)methylamino]-2-oxoethyl] 3,5-dimethyl-1,2-oxazole-4-carboxylate (PubChem CID 2681595) has the molecular formula C15H15ClN2O4 and a molecular weight of 322.75 g/mol. Its IUPAC name is [2-[(4-chlorophenyl)methylamino]-2-oxoethyl] 3,5-dimethyl-1,2-oxazole-4-carboxylate.

Molecular Properties

Compound Name[2-[(4-chlorophenyl)methylamino]-2-oxoethyl] 3,5-dimethyl-1,2-oxazole-4-carboxylate
PubChem CID2681595
Molecular FormulaC15H15ClN2O4
Molecular Weight322.75 g/mol
Exact Mass322.07
IUPAC Name[2-[(4-chlorophenyl)methylamino]-2-oxoethyl] 3,5-dimethyl-1,2-oxazole-4-carboxylate
SMILESCc1noc(C)c1C(=O)OCC(=O)NCc1ccc(Cl)cc1
InChIInChI=1S/C15H15ClN2O4/c1-9-14(10(2)22-18-9)15(20)21-8-13(19)17-7-11-3-5-12(16)6-4-11/h3-6H,7-8H2,1-2H3,(H,17,19)
InChIKeyXADIUONAQLRISD-UHFFFAOYSA-N
XLogP2.42
TPSA81.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.75
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(3,5-Dimethyl-1,2-oxazol-4-yl)methyl 2-[(3-fluorobenzoyl)amino]acetate
CID 2435653
(3,5-dimethyl-1,2-oxazol-4-yl)methyl (2S)-2-benzamido-3-methylbutanoate
CID 2435899
[2-(4-Methylpiperidin-1-yl)-2-oxoethyl] 3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carboxylate
CID 2481042
[1-[1-(2,4-Dichlorophenyl)ethylamino]-1-oxopropan-2-yl] 3,5-dimethyl-1,2-oxazole-4-carboxylate
CID 4781056
(2-Benzamido-2-oxoethyl) 3-ethyl-5-methyl-1,2-oxazole-4-carboxylate
CID 7660698
N-[2-(4-chlorophenyl)ethyl]-3-ethyl-5-methyl-1,2-oxazole-4-carboxamide
CID 9268164
[2-Oxo-2-(1-phenylethylamino)ethyl] 3-ethyl-5-methyl-1,2-oxazole-4-carboxylate
CID 16306830
[2-(2-Methylpropylcarbamoylamino)-2-oxoethyl] 3-(2-chloro-6-fluorophenyl)-5-methyl-1,2-oxazole-4-carboxylate
CID 2098340
[2-(Benzhydrylamino)-2-oxoethyl] 3-(2-chloro-6-fluorophenyl)-5-methyl-1,2-oxazole-4-carboxylate
CID 2371617
[2-(Cyclopropylamino)-2-oxoethyl] 3-(2-chloro-6-fluorophenyl)-5-methyl-1,2-oxazole-4-carboxylate
CID 2371752
[2-(Benzhydrylamino)-2-oxoethyl] 3,5-dimethyl-1,2-oxazole-4-carboxylate
CID 2416796
(3,5-dimethyl-1,2-oxazol-4-yl)methyl (2S)-2-[(2-chlorobenzoyl)amino]-3-methylbutanoate
CID 2456379

Frequently Asked Questions

What is the IUPAC name of [2-[(4-chlorophenyl)methylamino]-2-oxoethyl] 3,5-dimethyl-1,2-oxazole-4-carboxylate?
The IUPAC name of [2-[(4-chlorophenyl)methylamino]-2-oxoethyl] 3,5-dimethyl-1,2-oxazole-4-carboxylate (CID 2681595) is [2-[(4-chlorophenyl)methylamino]-2-oxoethyl] 3,5-dimethyl-1,2-oxazole-4-carboxylate.
What is the SMILES notation for [2-[(4-chlorophenyl)methylamino]-2-oxoethyl] 3,5-dimethyl-1,2-oxazole-4-carboxylate?
The canonical SMILES for [2-[(4-chlorophenyl)methylamino]-2-oxoethyl] 3,5-dimethyl-1,2-oxazole-4-carboxylate is Cc1noc(C)c1C(=O)OCC(=O)NCc1ccc(Cl)cc1.
What is the InChIKey of [2-[(4-chlorophenyl)methylamino]-2-oxoethyl] 3,5-dimethyl-1,2-oxazole-4-carboxylate?
The InChIKey is XADIUONAQLRISD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClN2O4/c1-9-14(10(2)22-18-9)15(20)21-8-13(19)17-7-11-3-5-12(16)6-4-11/h3-6H,7-8H2,1-2H3,(H,17,19).
What are the key properties of [2-[(4-chlorophenyl)methylamino]-2-oxoethyl] 3,5-dimethyl-1,2-oxazole-4-carboxylate?
[2-[(4-chlorophenyl)methylamino]-2-oxoethyl] 3,5-dimethyl-1,2-oxazole-4-carboxylate has a molecular weight of 322.75 g/mol, XLogP of 2.42, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(4-chlorophenyl)methylamino]-2-oxoethyl] 3,5-dimethyl-1,2-oxazole-4-carboxylate is sourced from PubChem (CID 2681595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).