3-(3-chlorophenyl)-5-(2-piperidin-3-ylpropyl)-1,2,4-oxadiazole

C16H20ClN3O — CID 81048775

IUPAC3-(3-chlorophenyl)-5-(2-piperidin-3-ylpropyl)-1,2,4-oxadiazole
SMILESCC(Cc1nc(-c2cccc(Cl)c2)no1)C1CCCNC1
InChIInChI=1S/C16H20ClN3O/c1-11(13-5-3-7-18-10-13)8-15-19-16(20-21-15)12-4-2-6-14(17)9-12/h2,4,6,9,11,13,18H,3,5,7-8,10H2,1H3
InChIKeyXYGSFBNRCDRIBU-UHFFFAOYSA-N
MW305.81 g/mol
LogP3.57
Rot. Bonds4

About 3-(3-chlorophenyl)-5-(2-piperidin-3-ylpropyl)-1,2,4-oxadiazole

3-(3-chlorophenyl)-5-(2-piperidin-3-ylpropyl)-1,2,4-oxadiazole (PubChem CID 81048775) has the molecular formula C16H20ClN3O and a molecular weight of 305.81 g/mol. Its IUPAC name is 3-(3-chlorophenyl)-5-(2-piperidin-3-ylpropyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-(3-chlorophenyl)-5-(2-piperidin-3-ylpropyl)-1,2,4-oxadiazole
PubChem CID81048775
Molecular FormulaC16H20ClN3O
Molecular Weight305.81 g/mol
Exact Mass305.13
IUPAC Name3-(3-chlorophenyl)-5-(2-piperidin-3-ylpropyl)-1,2,4-oxadiazole
SMILESCC(Cc1nc(-c2cccc(Cl)c2)no1)C1CCCNC1
InChIInChI=1S/C16H20ClN3O/c1-11(13-5-3-7-18-10-13)8-15-19-16(20-21-15)12-4-2-6-14(17)9-12/h2,4,6,9,11,13,18H,3,5,7-8,10H2,1H3
InChIKeyXYGSFBNRCDRIBU-UHFFFAOYSA-N
XLogP3.57
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.81
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-(2-piperidin-3-ylpropyl)-3-thiophen-2-yl-1,2,4-oxadiazole
CID 81046211
3-[(2-chlorophenyl)methyl]-5-(2-piperidin-3-ylpropyl)-1,2,4-oxadiazole;hydrochloride
CID 119947686
3-(3-chlorophenyl)-5-piperidin-3-yl-1,2,4-oxadiazole;hydrochloride
CID 69411242
N-[2-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]piperidine-3-carboxamide
CID 119326204
2-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]-1-cyclopropyl-N-ethylethanamine
CID 63347887
5-(azetidin-3-ylmethyl)-3-(3-chlorophenyl)-1,2,4-oxadiazole
CID 64612280
3-(3-chlorophenyl)-5-(2-piperidin-3-ylpropan-2-yl)-1,2,4-oxadiazole
CID 83199422
N-[2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-3-piperidin-3-ylbutanamide;hydrochloride
CID 119782331
4-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]-3-methylbutanenitrile
CID 106523876
(3R)-N-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-3-amine
CID 95228881
3-(2-methylcyclopropyl)-5-(2-piperidin-3-ylpropyl)-1,2,4-oxadiazole
CID 81047095
N-[2-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]propan-2-amine
CID 54924452

Frequently Asked Questions

What is the IUPAC name of 3-(3-chlorophenyl)-5-(2-piperidin-3-ylpropyl)-1,2,4-oxadiazole?
The IUPAC name of 3-(3-chlorophenyl)-5-(2-piperidin-3-ylpropyl)-1,2,4-oxadiazole (CID 81048775) is 3-(3-chlorophenyl)-5-(2-piperidin-3-ylpropyl)-1,2,4-oxadiazole.
What is the SMILES notation for 3-(3-chlorophenyl)-5-(2-piperidin-3-ylpropyl)-1,2,4-oxadiazole?
The canonical SMILES for 3-(3-chlorophenyl)-5-(2-piperidin-3-ylpropyl)-1,2,4-oxadiazole is CC(Cc1nc(-c2cccc(Cl)c2)no1)C1CCCNC1.
What is the InChIKey of 3-(3-chlorophenyl)-5-(2-piperidin-3-ylpropyl)-1,2,4-oxadiazole?
The InChIKey is XYGSFBNRCDRIBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20ClN3O/c1-11(13-5-3-7-18-10-13)8-15-19-16(20-21-15)12-4-2-6-14(17)9-12/h2,4,6,9,11,13,18H,3,5,7-8,10H2,1H3.
What are the key properties of 3-(3-chlorophenyl)-5-(2-piperidin-3-ylpropyl)-1,2,4-oxadiazole?
3-(3-chlorophenyl)-5-(2-piperidin-3-ylpropyl)-1,2,4-oxadiazole has a molecular weight of 305.81 g/mol, XLogP of 3.57, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chlorophenyl)-5-(2-piperidin-3-ylpropyl)-1,2,4-oxadiazole is sourced from PubChem (CID 81048775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).