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

C16H20ClN3O — CID 83199422

IUPAC3-(3-chlorophenyl)-5-(2-piperidin-3-ylpropan-2-yl)-1,2,4-oxadiazole
SMILESCC(C)(c1nc(-c2cccc(Cl)c2)no1)C1CCCNC1
InChIInChI=1S/C16H20ClN3O/c1-16(2,12-6-4-8-18-10-12)15-19-14(20-21-15)11-5-3-7-13(17)9-11/h3,5,7,9,12,18H,4,6,8,10H2,1-2H3
InChIKeyGBEZHGWZJSADFX-UHFFFAOYSA-N
MW305.81 g/mol
LogP3.67
Rot. Bonds3

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

3-(3-chlorophenyl)-5-(2-piperidin-3-ylpropan-2-yl)-1,2,4-oxadiazole (PubChem CID 83199422) 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-ylpropan-2-yl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-(3-chlorophenyl)-5-(2-piperidin-3-ylpropan-2-yl)-1,2,4-oxadiazole
PubChem CID83199422
Molecular FormulaC16H20ClN3O
Molecular Weight305.81 g/mol
Exact Mass305.13
IUPAC Name3-(3-chlorophenyl)-5-(2-piperidin-3-ylpropan-2-yl)-1,2,4-oxadiazole
SMILESCC(C)(c1nc(-c2cccc(Cl)c2)no1)C1CCCNC1
InChIInChI=1S/C16H20ClN3O/c1-16(2,12-6-4-8-18-10-12)15-19-14(20-21-15)11-5-3-7-13(17)9-11/h3,5,7,9,12,18H,4,6,8,10H2,1-2H3
InChIKeyGBEZHGWZJSADFX-UHFFFAOYSA-N
XLogP3.67
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.81
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(3-chlorophenyl)-5-(2-piperidin-3-ylpropan-2-yl)-1,2,4-oxadiazole?
The IUPAC name of 3-(3-chlorophenyl)-5-(2-piperidin-3-ylpropan-2-yl)-1,2,4-oxadiazole (CID 83199422) is 3-(3-chlorophenyl)-5-(2-piperidin-3-ylpropan-2-yl)-1,2,4-oxadiazole.
What is the SMILES notation for 3-(3-chlorophenyl)-5-(2-piperidin-3-ylpropan-2-yl)-1,2,4-oxadiazole?
The canonical SMILES for 3-(3-chlorophenyl)-5-(2-piperidin-3-ylpropan-2-yl)-1,2,4-oxadiazole is CC(C)(c1nc(-c2cccc(Cl)c2)no1)C1CCCNC1.
What is the InChIKey of 3-(3-chlorophenyl)-5-(2-piperidin-3-ylpropan-2-yl)-1,2,4-oxadiazole?
The InChIKey is GBEZHGWZJSADFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20ClN3O/c1-16(2,12-6-4-8-18-10-12)15-19-14(20-21-15)11-5-3-7-13(17)9-11/h3,5,7,9,12,18H,4,6,8,10H2,1-2H3.
What are the key properties of 3-(3-chlorophenyl)-5-(2-piperidin-3-ylpropan-2-yl)-1,2,4-oxadiazole?
3-(3-chlorophenyl)-5-(2-piperidin-3-ylpropan-2-yl)-1,2,4-oxadiazole has a molecular weight of 305.81 g/mol, XLogP of 3.67, 3 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-ylpropan-2-yl)-1,2,4-oxadiazole is sourced from PubChem (CID 83199422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).