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

C17H21N3O — CID 59657786

IUPAC3-(1-cyclopropylpiperidin-4-yl)-5-(4-methylphenyl)-1,2,4-oxadiazole
SMILESCc1ccc(-c2nc(C3CCN(C4CC4)CC3)no2)cc1
InChIInChI=1S/C17H21N3O/c1-12-2-4-14(5-3-12)17-18-16(19-21-17)13-8-10-20(11-9-13)15-6-7-15/h2-5,13,15H,6-11H2,1H3
InChIKeyAEZLNUIJTGNSOE-UHFFFAOYSA-N
MW283.38 g/mol
LogP3.39
Rot. Bonds3

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

3-(1-cyclopropylpiperidin-4-yl)-5-(4-methylphenyl)-1,2,4-oxadiazole (PubChem CID 59657786) has the molecular formula C17H21N3O and a molecular weight of 283.38 g/mol. Its IUPAC name is 3-(1-cyclopropylpiperidin-4-yl)-5-(4-methylphenyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-(1-cyclopropylpiperidin-4-yl)-5-(4-methylphenyl)-1,2,4-oxadiazole
PubChem CID59657786
Molecular FormulaC17H21N3O
Molecular Weight283.38 g/mol
Exact Mass283.17
IUPAC Name3-(1-cyclopropylpiperidin-4-yl)-5-(4-methylphenyl)-1,2,4-oxadiazole
SMILESCc1ccc(-c2nc(C3CCN(C4CC4)CC3)no2)cc1
InChIInChI=1S/C17H21N3O/c1-12-2-4-14(5-3-12)17-18-16(19-21-17)13-8-10-20(11-9-13)15-6-7-15/h2-5,13,15H,6-11H2,1H3
InChIKeyAEZLNUIJTGNSOE-UHFFFAOYSA-N
XLogP3.39
TPSA42.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.38
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(1-cyclopropylpiperidin-4-yl)-5-(4-methylphenyl)-1,2,4-oxadiazole?
The IUPAC name of 3-(1-cyclopropylpiperidin-4-yl)-5-(4-methylphenyl)-1,2,4-oxadiazole (CID 59657786) is 3-(1-cyclopropylpiperidin-4-yl)-5-(4-methylphenyl)-1,2,4-oxadiazole.
What is the SMILES notation for 3-(1-cyclopropylpiperidin-4-yl)-5-(4-methylphenyl)-1,2,4-oxadiazole?
The canonical SMILES for 3-(1-cyclopropylpiperidin-4-yl)-5-(4-methylphenyl)-1,2,4-oxadiazole is Cc1ccc(-c2nc(C3CCN(C4CC4)CC3)no2)cc1.
What is the InChIKey of 3-(1-cyclopropylpiperidin-4-yl)-5-(4-methylphenyl)-1,2,4-oxadiazole?
The InChIKey is AEZLNUIJTGNSOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O/c1-12-2-4-14(5-3-12)17-18-16(19-21-17)13-8-10-20(11-9-13)15-6-7-15/h2-5,13,15H,6-11H2,1H3.
What are the key properties of 3-(1-cyclopropylpiperidin-4-yl)-5-(4-methylphenyl)-1,2,4-oxadiazole?
3-(1-cyclopropylpiperidin-4-yl)-5-(4-methylphenyl)-1,2,4-oxadiazole has a molecular weight of 283.38 g/mol, XLogP of 3.39, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-cyclopropylpiperidin-4-yl)-5-(4-methylphenyl)-1,2,4-oxadiazole is sourced from PubChem (CID 59657786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).