5-(4-butylcyclohexyl)-3-pyridin-2-yl-1,2,4-oxadiazole

C17H23N3O — CID 2264736

IUPAC5-(4-butylcyclohexyl)-3-pyridin-2-yl-1,2,4-oxadiazole
SMILESCCCCC1CCC(c2nc(-c3ccccn3)no2)CC1
InChIInChI=1S/C17H23N3O/c1-2-3-6-13-8-10-14(11-9-13)17-19-16(20-21-17)15-7-4-5-12-18-15/h4-5,7,12-14H,2-3,6,8-11H2,1H3
InChIKeySHANOOLFTYPLRN-UHFFFAOYSA-N
MW285.39 g/mol
LogP4.60
Rot. Bonds5

About 5-(4-butylcyclohexyl)-3-pyridin-2-yl-1,2,4-oxadiazole

5-(4-butylcyclohexyl)-3-pyridin-2-yl-1,2,4-oxadiazole (PubChem CID 2264736) has the molecular formula C17H23N3O and a molecular weight of 285.39 g/mol. Its IUPAC name is 5-(4-butylcyclohexyl)-3-pyridin-2-yl-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-(4-butylcyclohexyl)-3-pyridin-2-yl-1,2,4-oxadiazole
PubChem CID2264736
Molecular FormulaC17H23N3O
Molecular Weight285.39 g/mol
Exact Mass285.18
IUPAC Name5-(4-butylcyclohexyl)-3-pyridin-2-yl-1,2,4-oxadiazole
SMILESCCCCC1CCC(c2nc(-c3ccccn3)no2)CC1
InChIInChI=1S/C17H23N3O/c1-2-3-6-13-8-10-14(11-9-13)17-19-16(20-21-17)15-7-4-5-12-18-15/h4-5,7,12-14H,2-3,6,8-11H2,1H3
InChIKeySHANOOLFTYPLRN-UHFFFAOYSA-N
XLogP4.60
TPSA51.81 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 54.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(4-butylcyclohexyl)-3-pyridin-2-yl-1,2,4-oxadiazole?
The IUPAC name of 5-(4-butylcyclohexyl)-3-pyridin-2-yl-1,2,4-oxadiazole (CID 2264736) is 5-(4-butylcyclohexyl)-3-pyridin-2-yl-1,2,4-oxadiazole.
What is the SMILES notation for 5-(4-butylcyclohexyl)-3-pyridin-2-yl-1,2,4-oxadiazole?
The canonical SMILES for 5-(4-butylcyclohexyl)-3-pyridin-2-yl-1,2,4-oxadiazole is CCCCC1CCC(c2nc(-c3ccccn3)no2)CC1.
What is the InChIKey of 5-(4-butylcyclohexyl)-3-pyridin-2-yl-1,2,4-oxadiazole?
The InChIKey is SHANOOLFTYPLRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O/c1-2-3-6-13-8-10-14(11-9-13)17-19-16(20-21-17)15-7-4-5-12-18-15/h4-5,7,12-14H,2-3,6,8-11H2,1H3.
What are the key properties of 5-(4-butylcyclohexyl)-3-pyridin-2-yl-1,2,4-oxadiazole?
5-(4-butylcyclohexyl)-3-pyridin-2-yl-1,2,4-oxadiazole has a molecular weight of 285.39 g/mol, XLogP of 4.60, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-butylcyclohexyl)-3-pyridin-2-yl-1,2,4-oxadiazole is sourced from PubChem (CID 2264736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).