5-[2-(1-phenylcyclohexyl)ethyl]-3-pyridin-3-yl-1,2,4-oxadiazole

C21H23N3O — CID 56949269

IUPAC5-[2-(1-phenylcyclohexyl)ethyl]-3-pyridin-3-yl-1,2,4-oxadiazole
SMILESc1ccc(C2(CCc3nc(-c4cccnc4)no3)CCCCC2)cc1
InChIInChI=1S/C21H23N3O/c1-3-9-18(10-4-1)21(12-5-2-6-13-21)14-11-19-23-20(24-25-19)17-8-7-15-22-16-17/h1,3-4,7-10,15-16H,2,5-6,11-14H2
InChIKeyUAUQCABEJBRLRC-UHFFFAOYSA-N
MW333.44 g/mol
LogP4.97
Rot. Bonds5

About 5-[2-(1-phenylcyclohexyl)ethyl]-3-pyridin-3-yl-1,2,4-oxadiazole

5-[2-(1-phenylcyclohexyl)ethyl]-3-pyridin-3-yl-1,2,4-oxadiazole (PubChem CID 56949269) has the molecular formula C21H23N3O and a molecular weight of 333.44 g/mol. Its IUPAC name is 5-[2-(1-phenylcyclohexyl)ethyl]-3-pyridin-3-yl-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-[2-(1-phenylcyclohexyl)ethyl]-3-pyridin-3-yl-1,2,4-oxadiazole
PubChem CID56949269
Molecular FormulaC21H23N3O
Molecular Weight333.44 g/mol
Exact Mass333.18
IUPAC Name5-[2-(1-phenylcyclohexyl)ethyl]-3-pyridin-3-yl-1,2,4-oxadiazole
SMILESc1ccc(C2(CCc3nc(-c4cccnc4)no3)CCCCC2)cc1
InChIInChI=1S/C21H23N3O/c1-3-9-18(10-4-1)21(12-5-2-6-13-21)14-11-19-23-20(24-25-19)17-8-7-15-22-16-17/h1,3-4,7-10,15-16H,2,5-6,11-14H2
InChIKeyUAUQCABEJBRLRC-UHFFFAOYSA-N
XLogP4.97
TPSA51.81 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.44
LogP ≤ 54.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[2-(1-phenylcyclohexyl)ethyl]-3-pyridin-3-yl-1,2,4-oxadiazole?
The IUPAC name of 5-[2-(1-phenylcyclohexyl)ethyl]-3-pyridin-3-yl-1,2,4-oxadiazole (CID 56949269) is 5-[2-(1-phenylcyclohexyl)ethyl]-3-pyridin-3-yl-1,2,4-oxadiazole.
What is the SMILES notation for 5-[2-(1-phenylcyclohexyl)ethyl]-3-pyridin-3-yl-1,2,4-oxadiazole?
The canonical SMILES for 5-[2-(1-phenylcyclohexyl)ethyl]-3-pyridin-3-yl-1,2,4-oxadiazole is c1ccc(C2(CCc3nc(-c4cccnc4)no3)CCCCC2)cc1.
What is the InChIKey of 5-[2-(1-phenylcyclohexyl)ethyl]-3-pyridin-3-yl-1,2,4-oxadiazole?
The InChIKey is UAUQCABEJBRLRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O/c1-3-9-18(10-4-1)21(12-5-2-6-13-21)14-11-19-23-20(24-25-19)17-8-7-15-22-16-17/h1,3-4,7-10,15-16H,2,5-6,11-14H2.
What are the key properties of 5-[2-(1-phenylcyclohexyl)ethyl]-3-pyridin-3-yl-1,2,4-oxadiazole?
5-[2-(1-phenylcyclohexyl)ethyl]-3-pyridin-3-yl-1,2,4-oxadiazole has a molecular weight of 333.44 g/mol, XLogP of 4.97, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(1-phenylcyclohexyl)ethyl]-3-pyridin-3-yl-1,2,4-oxadiazole is sourced from PubChem (CID 56949269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).