[3-(2-chlorophenyl)-5-methyl-4H-1,2-oxazol-5-yl]-(2-methylpiperidin-1-yl)methanone

C17H21ClN2O2 — CID 91946054

IUPAC[3-(2-chlorophenyl)-5-methyl-4H-1,2-oxazol-5-yl]-(2-methylpiperidin-1-yl)methanone
SMILESCC1CCCCN1C(=O)C1(C)CC(c2ccccc2Cl)=NO1
InChIInChI=1S/C17H21ClN2O2/c1-12-7-5-6-10-20(12)16(21)17(2)11-15(19-22-17)13-8-3-4-9-14(13)18/h3-4,8-9,12H,5-7,10-11H2,1-2H3
InChIKeyILIJXMPPEXVRII-UHFFFAOYSA-N
MW320.82 g/mol
LogP3.62
Rot. Bonds2

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

[3-(2-chlorophenyl)-5-methyl-4H-1,2-oxazol-5-yl]-(2-methylpiperidin-1-yl)methanone (PubChem CID 91946054) has the molecular formula C17H21ClN2O2 and a molecular weight of 320.82 g/mol. Its IUPAC name is [3-(2-chlorophenyl)-5-methyl-4H-1,2-oxazol-5-yl]-(2-methylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name[3-(2-chlorophenyl)-5-methyl-4H-1,2-oxazol-5-yl]-(2-methylpiperidin-1-yl)methanone
PubChem CID91946054
Molecular FormulaC17H21ClN2O2
Molecular Weight320.82 g/mol
Exact Mass320.13
IUPAC Name[3-(2-chlorophenyl)-5-methyl-4H-1,2-oxazol-5-yl]-(2-methylpiperidin-1-yl)methanone
SMILESCC1CCCCN1C(=O)C1(C)CC(c2ccccc2Cl)=NO1
InChIInChI=1S/C17H21ClN2O2/c1-12-7-5-6-10-20(12)16(21)17(2)11-15(19-22-17)13-8-3-4-9-14(13)18/h3-4,8-9,12H,5-7,10-11H2,1-2H3
InChIKeyILIJXMPPEXVRII-UHFFFAOYSA-N
XLogP3.62
TPSA41.90 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.82
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze [3-(2-chlorophenyl)-5-methyl-4H-1,2-oxazol-5-yl]-(2-methylpiperidin-1-yl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(5-methyl-3-phenyl-4H-1,2-oxazol-5-yl)-(2-methylpiperidin-1-yl)methanone
CID 91945972
(2-methylpiperidin-1-yl)-(5-methyl-3-thiophen-2-yl-4H-1,2-oxazol-5-yl)methanone
CID 102551898
(5S)-3-(2-chlorophenyl)-N,N-diethyl-5-methyl-4H-1,2-oxazole-5-carboxamide
CID 97465601
(5R)-9-[(5R)-3-(2-chlorophenyl)-5-methyl-4H-1,2-oxazole-5-carbonyl]-5-phenyl-3,9-diazaspiro[5.5]undecan-2-one
CID 129458903
[(3R,5R)-3,5-dimethylpiperidin-1-yl]-[(5S)-3-(2-fluorophenyl)-5-methyl-4H-1,2-oxazol-5-yl]methanone
CID 97465298
azepan-1-yl-[(5R)-5-methyl-3-phenyl-4H-1,2-oxazol-5-yl]methanone
CID 97465776
3-(2-chlorophenyl)-5-methyl-N-(5-methyl-1,2-oxazol-3-yl)-4H-1,2-oxazole-5-carboxamide
CID 91946065
(5S)-3-(2-chlorophenyl)-5-methyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)-4H-1,2-oxazole-5-carboxamide
CID 97465587
[(2S,6R)-2,6-dimethylmorpholin-4-yl]-[(5S)-3-(2-fluorophenyl)-5-methyl-4H-1,2-oxazol-5-yl]methanone
CID 97465305
[(5S)-3-(2-chlorophenyl)-5-methyl-4H-1,2-oxazol-5-yl]-[(6R)-6-(pyrrolo[1,2-a]pyrazin-1-ylmethyl)-1,4-oxazepan-4-yl]methanone
CID 124959994
[(5R)-3-(2-chlorophenyl)-5-methyl-4H-1,2-oxazol-5-yl]-[(6S)-6-(1H-indazol-4-ylmethyl)-1,4-oxazepan-4-yl]methanone
CID 124950803
3-(2-chlorophenyl)-1-(2-methylpiperidin-1-yl)propan-1-one
CID 78785123

Frequently Asked Questions

What is the IUPAC name of [3-(2-chlorophenyl)-5-methyl-4H-1,2-oxazol-5-yl]-(2-methylpiperidin-1-yl)methanone?
The IUPAC name of [3-(2-chlorophenyl)-5-methyl-4H-1,2-oxazol-5-yl]-(2-methylpiperidin-1-yl)methanone (CID 91946054) is [3-(2-chlorophenyl)-5-methyl-4H-1,2-oxazol-5-yl]-(2-methylpiperidin-1-yl)methanone.
What is the SMILES notation for [3-(2-chlorophenyl)-5-methyl-4H-1,2-oxazol-5-yl]-(2-methylpiperidin-1-yl)methanone?
The canonical SMILES for [3-(2-chlorophenyl)-5-methyl-4H-1,2-oxazol-5-yl]-(2-methylpiperidin-1-yl)methanone is CC1CCCCN1C(=O)C1(C)CC(c2ccccc2Cl)=NO1.
What is the InChIKey of [3-(2-chlorophenyl)-5-methyl-4H-1,2-oxazol-5-yl]-(2-methylpiperidin-1-yl)methanone?
The InChIKey is ILIJXMPPEXVRII-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21ClN2O2/c1-12-7-5-6-10-20(12)16(21)17(2)11-15(19-22-17)13-8-3-4-9-14(13)18/h3-4,8-9,12H,5-7,10-11H2,1-2H3.
What are the key properties of [3-(2-chlorophenyl)-5-methyl-4H-1,2-oxazol-5-yl]-(2-methylpiperidin-1-yl)methanone?
[3-(2-chlorophenyl)-5-methyl-4H-1,2-oxazol-5-yl]-(2-methylpiperidin-1-yl)methanone has a molecular weight of 320.82 g/mol, XLogP of 3.62, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(2-chlorophenyl)-5-methyl-4H-1,2-oxazol-5-yl]-(2-methylpiperidin-1-yl)methanone is sourced from PubChem (CID 91946054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).