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

C17H23N3O — CID 83199420

IUPAC3-(3-methylphenyl)-5-(2-piperidin-3-ylpropan-2-yl)-1,2,4-oxadiazole
SMILESCc1cccc(-c2noc(C(C)(C)C3CCCNC3)n2)c1
InChIInChI=1S/C17H23N3O/c1-12-6-4-7-13(10-12)15-19-16(21-20-15)17(2,3)14-8-5-9-18-11-14/h4,6-7,10,14,18H,5,8-9,11H2,1-3H3
InChIKeySRRZEDGRNVWITB-UHFFFAOYSA-N
MW285.39 g/mol
LogP3.32
Rot. Bonds3

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

3-(3-methylphenyl)-5-(2-piperidin-3-ylpropan-2-yl)-1,2,4-oxadiazole (PubChem CID 83199420) has the molecular formula C17H23N3O and a molecular weight of 285.39 g/mol. Its IUPAC name is 3-(3-methylphenyl)-5-(2-piperidin-3-ylpropan-2-yl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-(3-methylphenyl)-5-(2-piperidin-3-ylpropan-2-yl)-1,2,4-oxadiazole
PubChem CID83199420
Molecular FormulaC17H23N3O
Molecular Weight285.39 g/mol
Exact Mass285.18
IUPAC Name3-(3-methylphenyl)-5-(2-piperidin-3-ylpropan-2-yl)-1,2,4-oxadiazole
SMILESCc1cccc(-c2noc(C(C)(C)C3CCCNC3)n2)c1
InChIInChI=1S/C17H23N3O/c1-12-6-4-7-13(10-12)15-19-16(21-20-15)17(2,3)14-8-5-9-18-11-14/h4,6-7,10,14,18H,5,8-9,11H2,1-3H3
InChIKeySRRZEDGRNVWITB-UHFFFAOYSA-N
XLogP3.32
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(3-methylphenyl)-5-(2-piperidin-3-ylpropan-2-yl)-1,2,4-oxadiazole?
The IUPAC name of 3-(3-methylphenyl)-5-(2-piperidin-3-ylpropan-2-yl)-1,2,4-oxadiazole (CID 83199420) is 3-(3-methylphenyl)-5-(2-piperidin-3-ylpropan-2-yl)-1,2,4-oxadiazole.
What is the SMILES notation for 3-(3-methylphenyl)-5-(2-piperidin-3-ylpropan-2-yl)-1,2,4-oxadiazole?
The canonical SMILES for 3-(3-methylphenyl)-5-(2-piperidin-3-ylpropan-2-yl)-1,2,4-oxadiazole is Cc1cccc(-c2noc(C(C)(C)C3CCCNC3)n2)c1.
What is the InChIKey of 3-(3-methylphenyl)-5-(2-piperidin-3-ylpropan-2-yl)-1,2,4-oxadiazole?
The InChIKey is SRRZEDGRNVWITB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O/c1-12-6-4-7-13(10-12)15-19-16(21-20-15)17(2,3)14-8-5-9-18-11-14/h4,6-7,10,14,18H,5,8-9,11H2,1-3H3.
What are the key properties of 3-(3-methylphenyl)-5-(2-piperidin-3-ylpropan-2-yl)-1,2,4-oxadiazole?
3-(3-methylphenyl)-5-(2-piperidin-3-ylpropan-2-yl)-1,2,4-oxadiazole has a molecular weight of 285.39 g/mol, XLogP of 3.32, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methylphenyl)-5-(2-piperidin-3-ylpropan-2-yl)-1,2,4-oxadiazole is sourced from PubChem (CID 83199420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).