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

C15H18ClN3O — CID 60565067

IUPAC5-[1-[(2-chlorophenyl)methyl]piperidin-3-yl]-3-methyl-1,2,4-oxadiazole
SMILESCc1noc(C2CCCN(Cc3ccccc3Cl)C2)n1
InChIInChI=1S/C15H18ClN3O/c1-11-17-15(20-18-11)13-6-4-8-19(10-13)9-12-5-2-3-7-14(12)16/h2-3,5,7,13H,4,6,8-10H2,1H3
InChIKeyNDOHOFHAUJKWAY-UHFFFAOYSA-N
MW291.78 g/mol
LogP3.41
Rot. Bonds3

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

5-[1-[(2-chlorophenyl)methyl]piperidin-3-yl]-3-methyl-1,2,4-oxadiazole (PubChem CID 60565067) has the molecular formula C15H18ClN3O and a molecular weight of 291.78 g/mol. Its IUPAC name is 5-[1-[(2-chlorophenyl)methyl]piperidin-3-yl]-3-methyl-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-[1-[(2-chlorophenyl)methyl]piperidin-3-yl]-3-methyl-1,2,4-oxadiazole
PubChem CID60565067
Molecular FormulaC15H18ClN3O
Molecular Weight291.78 g/mol
Exact Mass291.11
IUPAC Name5-[1-[(2-chlorophenyl)methyl]piperidin-3-yl]-3-methyl-1,2,4-oxadiazole
SMILESCc1noc(C2CCCN(Cc3ccccc3Cl)C2)n1
InChIInChI=1S/C15H18ClN3O/c1-11-17-15(20-18-11)13-6-4-8-19(10-13)9-12-5-2-3-7-14(12)16/h2-3,5,7,13H,4,6,8-10H2,1H3
InChIKeyNDOHOFHAUJKWAY-UHFFFAOYSA-N
XLogP3.41
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 ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-[(2S)-1-[(2-chlorophenyl)methyl]piperidin-2-yl]-3-methyl-1,2,4-oxadiazole
CID 95110558
3-methyl-5-[1-[[4-(piperidin-1-ylmethyl)phenyl]methyl]pyrrolidin-3-yl]-1,2,4-oxadiazole
CID 122152728
5-[(3R)-1-[(2-chloro-5-methoxyphenyl)methyl]pyrrolidin-3-yl]-3-methyl-1,2,4-oxadiazole
CID 129346756
[2-[(2-chlorophenyl)methoxy]phenyl]-[3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone
CID 60525709
5-[(3R)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperidin-3-yl]-3-methyl-1,2,4-oxadiazole
CID 94207638
2-(2-chlorophenyl)-5-[[(3R)-3-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methyl]-1,3,4-oxadiazole
CID 129351660
5-[(3R)-1-[(2-bromo-3,4-dimethoxyphenyl)methyl]piperidin-3-yl]-3-methyl-1,2,4-oxadiazole
CID 97009022
(3R)-1-[(2-chlorophenyl)methyl]-3-methylpiperidine
CID 42550070
5-[1-[2-(4-chlorophenoxy)ethyl]piperidin-3-yl]-3-methyl-1,2,4-oxadiazole
CID 60525893
2-[[(3S)-3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methyl]-3H-quinazolin-4-one
CID 136755534
5-[1-[2-(2-chlorophenoxy)ethyl]pyrrolidin-3-yl]-3-methyl-1,2,4-oxadiazole
CID 128986563
3-methyl-5-[1-[[2-(2,2,2-trifluoroethoxy)phenyl]methyl]pyrrolidin-3-yl]-1,2,4-oxadiazole
CID 128970661

Frequently Asked Questions

What is the IUPAC name of 5-[1-[(2-chlorophenyl)methyl]piperidin-3-yl]-3-methyl-1,2,4-oxadiazole?
The IUPAC name of 5-[1-[(2-chlorophenyl)methyl]piperidin-3-yl]-3-methyl-1,2,4-oxadiazole (CID 60565067) is 5-[1-[(2-chlorophenyl)methyl]piperidin-3-yl]-3-methyl-1,2,4-oxadiazole.
What is the SMILES notation for 5-[1-[(2-chlorophenyl)methyl]piperidin-3-yl]-3-methyl-1,2,4-oxadiazole?
The canonical SMILES for 5-[1-[(2-chlorophenyl)methyl]piperidin-3-yl]-3-methyl-1,2,4-oxadiazole is Cc1noc(C2CCCN(Cc3ccccc3Cl)C2)n1.
What is the InChIKey of 5-[1-[(2-chlorophenyl)methyl]piperidin-3-yl]-3-methyl-1,2,4-oxadiazole?
The InChIKey is NDOHOFHAUJKWAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClN3O/c1-11-17-15(20-18-11)13-6-4-8-19(10-13)9-12-5-2-3-7-14(12)16/h2-3,5,7,13H,4,6,8-10H2,1H3.
What are the key properties of 5-[1-[(2-chlorophenyl)methyl]piperidin-3-yl]-3-methyl-1,2,4-oxadiazole?
5-[1-[(2-chlorophenyl)methyl]piperidin-3-yl]-3-methyl-1,2,4-oxadiazole has a molecular weight of 291.78 g/mol, XLogP of 3.41, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-[(2-chlorophenyl)methyl]piperidin-3-yl]-3-methyl-1,2,4-oxadiazole is sourced from PubChem (CID 60565067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).