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

C17H20ClN3O2 — CID 95868173

IUPAC(3S)-1-[[2-(2-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]piperidine-3-carboxamide
SMILESCc1oc(-c2ccccc2Cl)nc1CN1CCC[C@H](C(N)=O)C1
InChIInChI=1S/C17H20ClN3O2/c1-11-15(10-21-8-4-5-12(9-21)16(19)22)20-17(23-11)13-6-2-3-7-14(13)18/h2-3,6-7,12H,4-5,8-10H2,1H3,(H2,19,22)/t12-/m0/s1
InChIKeyNCSSCIBSCOCRLV-LBPRGKRZSA-N
MW333.82 g/mol
LogP3.00
Rot. Bonds4

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

(3S)-1-[[2-(2-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]piperidine-3-carboxamide (PubChem CID 95868173) has the molecular formula C17H20ClN3O2 and a molecular weight of 333.82 g/mol. Its IUPAC name is (3S)-1-[[2-(2-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-1-[[2-(2-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]piperidine-3-carboxamide
PubChem CID95868173
Molecular FormulaC17H20ClN3O2
Molecular Weight333.82 g/mol
Exact Mass333.12
IUPAC Name(3S)-1-[[2-(2-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]piperidine-3-carboxamide
SMILESCc1oc(-c2ccccc2Cl)nc1CN1CCC[C@H](C(N)=O)C1
InChIInChI=1S/C17H20ClN3O2/c1-11-15(10-21-8-4-5-12(9-21)16(19)22)20-17(23-11)13-6-2-3-7-14(13)18/h2-3,6-7,12H,4-5,8-10H2,1H3,(H2,19,22)/t12-/m0/s1
InChIKeyNCSSCIBSCOCRLV-LBPRGKRZSA-N
XLogP3.00
TPSA72.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.82
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (3S)-1-[[2-(2-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]piperidine-3-carboxamide with MolForge

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Related Compounds

(3R)-1-[[2-(2-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]piperidine-3-carbonitrile
CID 95872425
N-[1-[[2-(2-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]pyrrolidin-3-yl]-N-methylacetamide
CID 70784562
(3S)-1-[(2-chlorophenyl)methyl]piperidine-3-carboxamide
CID 6962119
N-[(4-fluorophenyl)methyl]-1-[[5-methyl-2-(2-methylphenyl)-1,3-oxazol-4-yl]methyl]piperidine-3-carboxamide
CID 20859955
2-[2-(2-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]-1-[3-(hydroxymethyl)piperidin-1-yl]ethanone
CID 110633137
2-[2-(2-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]-1-(2-ethylpyrrolidin-1-yl)ethanone
CID 110614026
2-(2-chlorophenyl)-4-[[4-(2-methoxyphenoxy)piperidin-1-yl]methyl]-5-methyl-1,3-oxazole
CID 42245325
ethyl 1-[[2-(2,4-difluorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]piperidine-3-carboxylate
CID 45195176
(3R)-N-[(2-chlorophenyl)methyl]-1-[[5-methyl-2-(3-methylphenyl)-1,3-oxazol-4-yl]methyl]piperidine-3-carboxamide
CID 92662505
1-[[2-(2-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-N-(furan-2-ylmethyl)piperidine-3-carboxamide
CID 20860003
5-methyl-2-(2-methylphenyl)-4-[(3-phenylpiperidin-1-yl)methyl]-1,3-oxazole
CID 45185948
[1-[[2-(2-ethoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]piperidin-3-yl]-pyridin-3-ylmethanone
CID 45243561

Frequently Asked Questions

What is the IUPAC name of (3S)-1-[[2-(2-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]piperidine-3-carboxamide?
The IUPAC name of (3S)-1-[[2-(2-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]piperidine-3-carboxamide (CID 95868173) is (3S)-1-[[2-(2-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]piperidine-3-carboxamide.
What is the SMILES notation for (3S)-1-[[2-(2-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]piperidine-3-carboxamide?
The canonical SMILES for (3S)-1-[[2-(2-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]piperidine-3-carboxamide is Cc1oc(-c2ccccc2Cl)nc1CN1CCC[C@H](C(N)=O)C1.
What is the InChIKey of (3S)-1-[[2-(2-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]piperidine-3-carboxamide?
The InChIKey is NCSSCIBSCOCRLV-LBPRGKRZSA-N. The full InChI is InChI=1S/C17H20ClN3O2/c1-11-15(10-21-8-4-5-12(9-21)16(19)22)20-17(23-11)13-6-2-3-7-14(13)18/h2-3,6-7,12H,4-5,8-10H2,1H3,(H2,19,22)/t12-/m0/s1.
What are the key properties of (3S)-1-[[2-(2-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]piperidine-3-carboxamide?
(3S)-1-[[2-(2-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]piperidine-3-carboxamide has a molecular weight of 333.82 g/mol, XLogP of 3.00, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-[[2-(2-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]piperidine-3-carboxamide is sourced from PubChem (CID 95868173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).