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

C16H21N3O — CID 646685

IUPAC5-(4-propylcyclohexyl)-3-pyridin-3-yl-1,2,4-oxadiazole
SMILESCCCC1CCC(c2nc(-c3cccnc3)no2)CC1
InChIInChI=1S/C16H21N3O/c1-2-4-12-6-8-13(9-7-12)16-18-15(19-20-16)14-5-3-10-17-11-14/h3,5,10-13H,2,4,6-9H2,1H3
InChIKeyQGUCBSXNMDKGML-UHFFFAOYSA-N
MW271.36 g/mol
LogP4.21
Rot. Bonds4

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

5-(4-propylcyclohexyl)-3-pyridin-3-yl-1,2,4-oxadiazole (PubChem CID 646685) has the molecular formula C16H21N3O and a molecular weight of 271.36 g/mol. Its IUPAC name is 5-(4-propylcyclohexyl)-3-pyridin-3-yl-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-(4-propylcyclohexyl)-3-pyridin-3-yl-1,2,4-oxadiazole
PubChem CID646685
Molecular FormulaC16H21N3O
Molecular Weight271.36 g/mol
Exact Mass271.17
IUPAC Name5-(4-propylcyclohexyl)-3-pyridin-3-yl-1,2,4-oxadiazole
SMILESCCCC1CCC(c2nc(-c3cccnc3)no2)CC1
InChIInChI=1S/C16H21N3O/c1-2-4-12-6-8-13(9-7-12)16-18-15(19-20-16)14-5-3-10-17-11-14/h3,5,10-13H,2,4,6-9H2,1H3
InChIKeyQGUCBSXNMDKGML-UHFFFAOYSA-N
XLogP4.21
TPSA51.81 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 54.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(4-propylcyclohexyl)-3-pyridin-3-yl-1,2,4-oxadiazole?
The IUPAC name of 5-(4-propylcyclohexyl)-3-pyridin-3-yl-1,2,4-oxadiazole (CID 646685) is 5-(4-propylcyclohexyl)-3-pyridin-3-yl-1,2,4-oxadiazole.
What is the SMILES notation for 5-(4-propylcyclohexyl)-3-pyridin-3-yl-1,2,4-oxadiazole?
The canonical SMILES for 5-(4-propylcyclohexyl)-3-pyridin-3-yl-1,2,4-oxadiazole is CCCC1CCC(c2nc(-c3cccnc3)no2)CC1.
What is the InChIKey of 5-(4-propylcyclohexyl)-3-pyridin-3-yl-1,2,4-oxadiazole?
The InChIKey is QGUCBSXNMDKGML-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O/c1-2-4-12-6-8-13(9-7-12)16-18-15(19-20-16)14-5-3-10-17-11-14/h3,5,10-13H,2,4,6-9H2,1H3.
What are the key properties of 5-(4-propylcyclohexyl)-3-pyridin-3-yl-1,2,4-oxadiazole?
5-(4-propylcyclohexyl)-3-pyridin-3-yl-1,2,4-oxadiazole has a molecular weight of 271.36 g/mol, XLogP of 4.21, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-propylcyclohexyl)-3-pyridin-3-yl-1,2,4-oxadiazole is sourced from PubChem (CID 646685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).