(2-oxo-2-piperidin-1-ylethyl) 3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carboxylate

C18H19ClN2O4 — CID 2097598

IUPAC(2-oxo-2-piperidin-1-ylethyl) 3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carboxylate
SMILESCc1onc(-c2ccccc2Cl)c1C(=O)OCC(=O)N1CCCCC1
InChIInChI=1S/C18H19ClN2O4/c1-12-16(17(20-25-12)13-7-3-4-8-14(13)19)18(23)24-11-15(22)21-9-5-2-6-10-21/h3-4,7-8H,2,5-6,9-11H2,1H3
InChIKeyQVCSPGLOWVHOAG-UHFFFAOYSA-N
MW362.81 g/mol
LogP3.47
Rot. Bonds4

About (2-oxo-2-piperidin-1-ylethyl) 3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carboxylate

(2-oxo-2-piperidin-1-ylethyl) 3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carboxylate (PubChem CID 2097598) has the molecular formula C18H19ClN2O4 and a molecular weight of 362.81 g/mol. Its IUPAC name is (2-oxo-2-piperidin-1-ylethyl) 3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carboxylate.

Molecular Properties

Compound Name(2-oxo-2-piperidin-1-ylethyl) 3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carboxylate
PubChem CID2097598
Molecular FormulaC18H19ClN2O4
Molecular Weight362.81 g/mol
Exact Mass362.10
IUPAC Name(2-oxo-2-piperidin-1-ylethyl) 3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carboxylate
SMILESCc1onc(-c2ccccc2Cl)c1C(=O)OCC(=O)N1CCCCC1
InChIInChI=1S/C18H19ClN2O4/c1-12-16(17(20-25-12)13-7-3-4-8-14(13)19)18(23)24-11-15(22)21-9-5-2-6-10-21/h3-4,7-8H,2,5-6,9-11H2,1H3
InChIKeyQVCSPGLOWVHOAG-UHFFFAOYSA-N
XLogP3.47
TPSA72.64 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.81
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-(2-Chlorophenyl)-5-methylisoxazol-4-yl 4-methylpiperazinyl ketone
CID 798832
[3-(2-Chloro-phenyl)-5-methyl-isoxazol-4-yl]-piperidin-1-yl-methanone
CID 700029
[3-(2,6-Dichloro-phenyl)-5-methyl-isoxazol-4-yl]-piperidin-1-yl-methanone
CID 743794
Azepan-1-yl-[3-(2-chloro-phenyl)-5-methyl-isoxazol-4-yl]-methanone
CID 717954
[2-(4-Methylpiperidin-1-yl)-2-oxoethyl] 3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carboxylate
CID 2481042
[2-[(4-Chlorophenyl)methylamino]-2-oxoethyl] 3,5-dimethyl-1,2-oxazole-4-carboxylate
CID 2681595
4-[3-(2-Chlorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]piperazine-1-carbaldehyde
CID 3555310
[2-(2,6-Dimethylpiperidin-1-yl)-2-oxoethyl] 3-(2-chloro-6-fluorophenyl)-5-methyl-1,2-oxazole-4-carboxylate
CID 4455955
[1-[1-(2,4-Dichlorophenyl)ethylamino]-1-oxopropan-2-yl] 3,5-dimethyl-1,2-oxazole-4-carboxylate
CID 4781056
4-{[3-(2-Chlorophenyl)-5-methyl-4-isoxazolyl]carbonyl}-2,6-dimethylmorpholine
CID 627025
2-Oxo-2-phenylethyl 3-(2-chlorophenyl)-5-methylisoxazole-4-carboxylate
CID 1016479
[3-(2-Chlorophenyl)-5-methyl-4-isoxazolyl](1-oxa-4-azaspiro[4.5]dec-4-yl)methanone
CID 1472888

Frequently Asked Questions

What is the IUPAC name of (2-oxo-2-piperidin-1-ylethyl) 3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carboxylate?
The IUPAC name of (2-oxo-2-piperidin-1-ylethyl) 3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carboxylate (CID 2097598) is (2-oxo-2-piperidin-1-ylethyl) 3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carboxylate.
What is the SMILES notation for (2-oxo-2-piperidin-1-ylethyl) 3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carboxylate?
The canonical SMILES for (2-oxo-2-piperidin-1-ylethyl) 3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carboxylate is Cc1onc(-c2ccccc2Cl)c1C(=O)OCC(=O)N1CCCCC1.
What is the InChIKey of (2-oxo-2-piperidin-1-ylethyl) 3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carboxylate?
The InChIKey is QVCSPGLOWVHOAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClN2O4/c1-12-16(17(20-25-12)13-7-3-4-8-14(13)19)18(23)24-11-15(22)21-9-5-2-6-10-21/h3-4,7-8H,2,5-6,9-11H2,1H3.
What are the key properties of (2-oxo-2-piperidin-1-ylethyl) 3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carboxylate?
(2-oxo-2-piperidin-1-ylethyl) 3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carboxylate has a molecular weight of 362.81 g/mol, XLogP of 3.47, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-oxo-2-piperidin-1-ylethyl) 3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carboxylate is sourced from PubChem (CID 2097598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).