(3R)-1-[[2-(2-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]piperidine-3-carbonitrile

C17H18ClN3O — CID 95872425

IUPAC(3R)-1-[[2-(2-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]piperidine-3-carbonitrile
SMILESCc1oc(-c2ccccc2Cl)nc1CN1CCC[C@@H](C#N)C1
InChIInChI=1S/C17H18ClN3O/c1-12-16(11-21-8-4-5-13(9-19)10-21)20-17(22-12)14-6-2-3-7-15(14)18/h2-3,6-7,13H,4-5,8,10-11H2,1H3/t13-/m0/s1
InChIKeyNDIBCLPQAIUATO-ZDUSSCGKSA-N
MW315.80 g/mol
LogP4.04
Rot. Bonds3

About (3R)-1-[[2-(2-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]piperidine-3-carbonitrile

(3R)-1-[[2-(2-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]piperidine-3-carbonitrile (PubChem CID 95872425) has the molecular formula C17H18ClN3O and a molecular weight of 315.80 g/mol. Its IUPAC name is (3R)-1-[[2-(2-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]piperidine-3-carbonitrile.

Molecular Properties

Compound Name(3R)-1-[[2-(2-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]piperidine-3-carbonitrile
PubChem CID95872425
Molecular FormulaC17H18ClN3O
Molecular Weight315.80 g/mol
Exact Mass315.11
IUPAC Name(3R)-1-[[2-(2-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]piperidine-3-carbonitrile
SMILESCc1oc(-c2ccccc2Cl)nc1CN1CCC[C@@H](C#N)C1
InChIInChI=1S/C17H18ClN3O/c1-12-16(11-21-8-4-5-13(9-19)10-21)20-17(22-12)14-6-2-3-7-15(14)18/h2-3,6-7,13H,4-5,8,10-11H2,1H3/t13-/m0/s1
InChIKeyNDIBCLPQAIUATO-ZDUSSCGKSA-N
XLogP4.04
TPSA53.06 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.80
LogP ≤ 54.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (3R)-1-[[2-(2-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]piperidine-3-carbonitrile 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

(3S)-1-[[2-(2-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]piperidine-3-carboxamide
CID 95868173
(3S)-1-[[5-methyl-2-[3-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]methyl]piperidine-3-carbonitrile
CID 95216916
N-[1-[[2-(2-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]pyrrolidin-3-yl]-N-methylacetamide
CID 70784562
5-methyl-2-(2-methylphenyl)-4-[(3-phenylpiperidin-1-yl)methyl]-1,3-oxazole
CID 45185948
2-(2-chlorophenyl)-4-[[4-(2-methoxyphenoxy)piperidin-1-yl]methyl]-5-methyl-1,3-oxazole
CID 42245325
2-(2-chlorophenyl)-4-[[(2S)-2-(4-fluorophenyl)pyrrolidin-1-yl]methyl]-5-methyl-1,3-oxazole
CID 42453226
2-(2-chlorophenyl)-4-[[(2R)-2-(4-fluorophenyl)pyrrolidin-1-yl]methyl]-5-methyl-1,3-oxazole
CID 42453219
1-benzylpiperidine-3-carbonitrile
CID 22931257
(3S)-1-benzylpiperidine-3-carbonitrile
CID 86315096
1-[[4-(2-methylphenyl)phenyl]methyl]piperidine-3-carbonitrile
CID 74243723
6-[[2-(2-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-1,2,4,5,7,8-hexahydropyrazolo[3,4-d]azepin-3-one
CID 70758639
1-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl]piperidin-3-ol
CID 110883667

Frequently Asked Questions

What is the IUPAC name of (3R)-1-[[2-(2-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]piperidine-3-carbonitrile?
The IUPAC name of (3R)-1-[[2-(2-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]piperidine-3-carbonitrile (CID 95872425) is (3R)-1-[[2-(2-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]piperidine-3-carbonitrile.
What is the SMILES notation for (3R)-1-[[2-(2-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]piperidine-3-carbonitrile?
The canonical SMILES for (3R)-1-[[2-(2-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]piperidine-3-carbonitrile is Cc1oc(-c2ccccc2Cl)nc1CN1CCC[C@@H](C#N)C1.
What is the InChIKey of (3R)-1-[[2-(2-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]piperidine-3-carbonitrile?
The InChIKey is NDIBCLPQAIUATO-ZDUSSCGKSA-N. The full InChI is InChI=1S/C17H18ClN3O/c1-12-16(11-21-8-4-5-13(9-19)10-21)20-17(22-12)14-6-2-3-7-15(14)18/h2-3,6-7,13H,4-5,8,10-11H2,1H3/t13-/m0/s1.
What are the key properties of (3R)-1-[[2-(2-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]piperidine-3-carbonitrile?
(3R)-1-[[2-(2-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]piperidine-3-carbonitrile has a molecular weight of 315.80 g/mol, XLogP of 4.04, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-[[2-(2-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]piperidine-3-carbonitrile is sourced from PubChem (CID 95872425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).