[5-(2-chlorophenyl)-1,2-oxazol-4-yl]-(3,5-dimethylpiperidin-1-yl)methanone

C17H19ClN2O2 — CID 59170047

IUPAC[5-(2-chlorophenyl)-1,2-oxazol-4-yl]-(3,5-dimethylpiperidin-1-yl)methanone
SMILESCC1CC(C)CN(C(=O)c2cnoc2-c2ccccc2Cl)C1
InChIInChI=1S/C17H19ClN2O2/c1-11-7-12(2)10-20(9-11)17(21)14-8-19-22-16(14)13-5-3-4-6-15(13)18/h3-6,8,11-12H,7,9-10H2,1-2H3
InChIKeyJRXSHBMIVWEXCD-UHFFFAOYSA-N
MW318.80 g/mol
LogP4.11
Rot. Bonds2

About [5-(2-chlorophenyl)-1,2-oxazol-4-yl]-(3,5-dimethylpiperidin-1-yl)methanone

[5-(2-chlorophenyl)-1,2-oxazol-4-yl]-(3,5-dimethylpiperidin-1-yl)methanone (PubChem CID 59170047) has the molecular formula C17H19ClN2O2 and a molecular weight of 318.80 g/mol. Its IUPAC name is [5-(2-chlorophenyl)-1,2-oxazol-4-yl]-(3,5-dimethylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name[5-(2-chlorophenyl)-1,2-oxazol-4-yl]-(3,5-dimethylpiperidin-1-yl)methanone
PubChem CID59170047
Molecular FormulaC17H19ClN2O2
Molecular Weight318.80 g/mol
Exact Mass318.11
IUPAC Name[5-(2-chlorophenyl)-1,2-oxazol-4-yl]-(3,5-dimethylpiperidin-1-yl)methanone
SMILESCC1CC(C)CN(C(=O)c2cnoc2-c2ccccc2Cl)C1
InChIInChI=1S/C17H19ClN2O2/c1-11-7-12(2)10-20(9-11)17(21)14-8-19-22-16(14)13-5-3-4-6-15(13)18/h3-6,8,11-12H,7,9-10H2,1-2H3
InChIKeyJRXSHBMIVWEXCD-UHFFFAOYSA-N
XLogP4.11
TPSA46.34 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.80
LogP ≤ 54.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[5-(2-chlorophenyl)-1,2-oxazol-4-yl]-[3-(4-fluorophenyl)pyrrolidin-1-yl]methanone
CID 59170222
[5-(2-methylphenyl)-1,2-oxazol-4-yl]-piperazin-1-ylmethanone
CID 95474291
[5-(4-methylphenyl)-1,2-oxazol-4-yl]-(4-methylpiperidin-1-yl)methanone
CID 110647508
(2-chlorophenyl)-[4-(3,5-dimethylpiperidin-1-yl)sulfonylpiperazin-1-yl]methanone
CID 42947009
1-[5-(2-chlorophenyl)furan-2-carbonyl]-5-methylpiperidine-3-carboxylic acid
CID 122119145
5-(2-chlorophenyl)-N-(cyclohexylmethyl)-1,2-oxazole-4-carboxamide
CID 59170259
(2-chlorophenyl)-(2,6-dimethylmorpholin-4-yl)methanone
CID 3516702
1-[2-(3-tert-butyl-1,2,4-oxadiazol-5-yl)benzoyl]-5-methylpiperidine-3-carboxylic acid
CID 122119791
(2-chloro-4,5-difluorophenyl)-[(3R,5S)-3,5-dimethylpiperidin-1-yl]methanone
CID 29056304
(2-chlorophenyl)-[(3S)-3-methylpiperidin-1-yl]methanone
CID 668837
(3,5-dimethylpiperidin-1-yl)-(2-pyrrolidin-1-yl-3-pyridinyl)methanone
CID 84575076
2-[4-[[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]-1-(3,5-dimethylpiperidin-1-yl)ethanone
CID 24507460

Frequently Asked Questions

What is the IUPAC name of [5-(2-chlorophenyl)-1,2-oxazol-4-yl]-(3,5-dimethylpiperidin-1-yl)methanone?
The IUPAC name of [5-(2-chlorophenyl)-1,2-oxazol-4-yl]-(3,5-dimethylpiperidin-1-yl)methanone (CID 59170047) is [5-(2-chlorophenyl)-1,2-oxazol-4-yl]-(3,5-dimethylpiperidin-1-yl)methanone.
What is the SMILES notation for [5-(2-chlorophenyl)-1,2-oxazol-4-yl]-(3,5-dimethylpiperidin-1-yl)methanone?
The canonical SMILES for [5-(2-chlorophenyl)-1,2-oxazol-4-yl]-(3,5-dimethylpiperidin-1-yl)methanone is CC1CC(C)CN(C(=O)c2cnoc2-c2ccccc2Cl)C1.
What is the InChIKey of [5-(2-chlorophenyl)-1,2-oxazol-4-yl]-(3,5-dimethylpiperidin-1-yl)methanone?
The InChIKey is JRXSHBMIVWEXCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClN2O2/c1-11-7-12(2)10-20(9-11)17(21)14-8-19-22-16(14)13-5-3-4-6-15(13)18/h3-6,8,11-12H,7,9-10H2,1-2H3.
What are the key properties of [5-(2-chlorophenyl)-1,2-oxazol-4-yl]-(3,5-dimethylpiperidin-1-yl)methanone?
[5-(2-chlorophenyl)-1,2-oxazol-4-yl]-(3,5-dimethylpiperidin-1-yl)methanone has a molecular weight of 318.80 g/mol, XLogP of 4.11, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(2-chlorophenyl)-1,2-oxazol-4-yl]-(3,5-dimethylpiperidin-1-yl)methanone is sourced from PubChem (CID 59170047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).