5-[(2S)-1-[(2-chlorophenyl)methyl]piperidin-2-yl]-3-methyl-1,2,4-oxadiazole

C15H18ClN3O — CID 95110558

IUPAC5-[(2S)-1-[(2-chlorophenyl)methyl]piperidin-2-yl]-3-methyl-1,2,4-oxadiazole
SMILESCc1noc([C@@H]2CCCCN2Cc2ccccc2Cl)n1
InChIInChI=1S/C15H18ClN3O/c1-11-17-15(20-18-11)14-8-4-5-9-19(14)10-12-6-2-3-7-13(12)16/h2-3,6-7,14H,4-5,8-10H2,1H3/t14-/m0/s1
InChIKeyDMMKLPKVCMTKJZ-AWEZNQCLSA-N
MW291.78 g/mol
LogP3.76
Rot. Bonds3

About 5-[(2S)-1-[(2-chlorophenyl)methyl]piperidin-2-yl]-3-methyl-1,2,4-oxadiazole

5-[(2S)-1-[(2-chlorophenyl)methyl]piperidin-2-yl]-3-methyl-1,2,4-oxadiazole (PubChem CID 95110558) has the molecular formula C15H18ClN3O and a molecular weight of 291.78 g/mol. Its IUPAC name is 5-[(2S)-1-[(2-chlorophenyl)methyl]piperidin-2-yl]-3-methyl-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-[(2S)-1-[(2-chlorophenyl)methyl]piperidin-2-yl]-3-methyl-1,2,4-oxadiazole
PubChem CID95110558
Molecular FormulaC15H18ClN3O
Molecular Weight291.78 g/mol
Exact Mass291.11
IUPAC Name5-[(2S)-1-[(2-chlorophenyl)methyl]piperidin-2-yl]-3-methyl-1,2,4-oxadiazole
SMILESCc1noc([C@@H]2CCCCN2Cc2ccccc2Cl)n1
InChIInChI=1S/C15H18ClN3O/c1-11-17-15(20-18-11)14-8-4-5-9-19(14)10-12-6-2-3-7-13(12)16/h2-3,6-7,14H,4-5,8-10H2,1H3/t14-/m0/s1
InChIKeyDMMKLPKVCMTKJZ-AWEZNQCLSA-N
XLogP3.76
TPSA42.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.78
LogP ≤ 53.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-[(2S)-1-benzylpiperidin-2-yl]-3-methyl-1,2,4-oxadiazole
CID 95051321
5-[1-[(2-chlorophenyl)methyl]piperidin-3-yl]-3-methyl-1,2,4-oxadiazole
CID 60565067
4-[(2S)-1-[(2-chlorophenyl)methyl]pyrrolidin-2-yl]-5-ethyl-3-methyl-1,2-oxazole
CID 92732718
3-[[2-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methyl]benzoic acid
CID 122034240
3-(4-fluorophenyl)-5-[[(2R)-2-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methyl]-1,2,4-oxadiazole
CID 95110579
2-[4-chloro-2-[[(2R)-2-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methyl]phenoxy]acetic acid
CID 99928177
5-[(2S)-1-[(2-chlorophenyl)methyl]pyrrolidin-2-yl]-3-propan-2-yl-1,2-oxazole
CID 95079524
5-[5-[(2S)-1-[(2-chlorophenyl)methyl]piperidin-2-yl]-1H-pyrazol-4-yl]-3-methyl-1,2-oxazole
CID 136860474
3-methyl-5-[(2S)-1-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-2-yl]-1,2,4-oxadiazole
CID 95817558
3-[(4-fluorophenyl)methyl]-5-[[2-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methyl]-1,2,4-oxadiazole
CID 53191893
(2-chloro-6-fluorophenyl)-[2-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone
CID 56730024
2-[2-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 91839248

Frequently Asked Questions

What is the IUPAC name of 5-[(2S)-1-[(2-chlorophenyl)methyl]piperidin-2-yl]-3-methyl-1,2,4-oxadiazole?
The IUPAC name of 5-[(2S)-1-[(2-chlorophenyl)methyl]piperidin-2-yl]-3-methyl-1,2,4-oxadiazole (CID 95110558) is 5-[(2S)-1-[(2-chlorophenyl)methyl]piperidin-2-yl]-3-methyl-1,2,4-oxadiazole.
What is the SMILES notation for 5-[(2S)-1-[(2-chlorophenyl)methyl]piperidin-2-yl]-3-methyl-1,2,4-oxadiazole?
The canonical SMILES for 5-[(2S)-1-[(2-chlorophenyl)methyl]piperidin-2-yl]-3-methyl-1,2,4-oxadiazole is Cc1noc([C@@H]2CCCCN2Cc2ccccc2Cl)n1.
What is the InChIKey of 5-[(2S)-1-[(2-chlorophenyl)methyl]piperidin-2-yl]-3-methyl-1,2,4-oxadiazole?
The InChIKey is DMMKLPKVCMTKJZ-AWEZNQCLSA-N. The full InChI is InChI=1S/C15H18ClN3O/c1-11-17-15(20-18-11)14-8-4-5-9-19(14)10-12-6-2-3-7-13(12)16/h2-3,6-7,14H,4-5,8-10H2,1H3/t14-/m0/s1.
What are the key properties of 5-[(2S)-1-[(2-chlorophenyl)methyl]piperidin-2-yl]-3-methyl-1,2,4-oxadiazole?
5-[(2S)-1-[(2-chlorophenyl)methyl]piperidin-2-yl]-3-methyl-1,2,4-oxadiazole has a molecular weight of 291.78 g/mol, XLogP of 3.76, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2S)-1-[(2-chlorophenyl)methyl]piperidin-2-yl]-3-methyl-1,2,4-oxadiazole is sourced from PubChem (CID 95110558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).