3-(2-bromophenyl)-5-(3-propylpiperidin-3-yl)-1,2,4-oxadiazole

C16H20BrN3O — CID 63137750

IUPAC3-(2-bromophenyl)-5-(3-propylpiperidin-3-yl)-1,2,4-oxadiazole
SMILESCCCC1(c2nc(-c3ccccc3Br)no2)CCCNC1
InChIInChI=1S/C16H20BrN3O/c1-2-8-16(9-5-10-18-11-16)15-19-14(20-21-15)12-6-3-4-7-13(12)17/h3-4,6-7,18H,2,5,8-11H2,1H3
InChIKeyHOXZQQNHBYWIGX-UHFFFAOYSA-N
MW350.26 g/mol
LogP3.92
Rot. Bonds4

About 3-(2-bromophenyl)-5-(3-propylpiperidin-3-yl)-1,2,4-oxadiazole

3-(2-bromophenyl)-5-(3-propylpiperidin-3-yl)-1,2,4-oxadiazole (PubChem CID 63137750) has the molecular formula C16H20BrN3O and a molecular weight of 350.26 g/mol. Its IUPAC name is 3-(2-bromophenyl)-5-(3-propylpiperidin-3-yl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-(2-bromophenyl)-5-(3-propylpiperidin-3-yl)-1,2,4-oxadiazole
PubChem CID63137750
Molecular FormulaC16H20BrN3O
Molecular Weight350.26 g/mol
Exact Mass349.08
IUPAC Name3-(2-bromophenyl)-5-(3-propylpiperidin-3-yl)-1,2,4-oxadiazole
SMILESCCCC1(c2nc(-c3ccccc3Br)no2)CCCNC1
InChIInChI=1S/C16H20BrN3O/c1-2-8-16(9-5-10-18-11-16)15-19-14(20-21-15)12-6-3-4-7-13(12)17/h3-4,6-7,18H,2,5,8-11H2,1H3
InChIKeyHOXZQQNHBYWIGX-UHFFFAOYSA-N
XLogP3.92
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.26
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(2-bromophenyl)-5-(3-propylpiperidin-3-yl)-1,2,4-oxadiazole?
The IUPAC name of 3-(2-bromophenyl)-5-(3-propylpiperidin-3-yl)-1,2,4-oxadiazole (CID 63137750) is 3-(2-bromophenyl)-5-(3-propylpiperidin-3-yl)-1,2,4-oxadiazole.
What is the SMILES notation for 3-(2-bromophenyl)-5-(3-propylpiperidin-3-yl)-1,2,4-oxadiazole?
The canonical SMILES for 3-(2-bromophenyl)-5-(3-propylpiperidin-3-yl)-1,2,4-oxadiazole is CCCC1(c2nc(-c3ccccc3Br)no2)CCCNC1.
What is the InChIKey of 3-(2-bromophenyl)-5-(3-propylpiperidin-3-yl)-1,2,4-oxadiazole?
The InChIKey is HOXZQQNHBYWIGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20BrN3O/c1-2-8-16(9-5-10-18-11-16)15-19-14(20-21-15)12-6-3-4-7-13(12)17/h3-4,6-7,18H,2,5,8-11H2,1H3.
What are the key properties of 3-(2-bromophenyl)-5-(3-propylpiperidin-3-yl)-1,2,4-oxadiazole?
3-(2-bromophenyl)-5-(3-propylpiperidin-3-yl)-1,2,4-oxadiazole has a molecular weight of 350.26 g/mol, XLogP of 3.92, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-bromophenyl)-5-(3-propylpiperidin-3-yl)-1,2,4-oxadiazole is sourced from PubChem (CID 63137750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).