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

C21H24N4O — CID 56949141

IUPAC3-[5-[2-(1-phenylcyclohexyl)ethyl]-1,2,4-oxadiazol-3-yl]pyridin-2-amine
SMILESNc1ncccc1-c1noc(CCC2(c3ccccc3)CCCCC2)n1
InChIInChI=1S/C21H24N4O/c22-19-17(10-7-15-23-19)20-24-18(26-25-20)11-14-21(12-5-2-6-13-21)16-8-3-1-4-9-16/h1,3-4,7-10,15H,2,5-6,11-14H2,(H2,22,23)
InChIKeyWEIDXYQXIRCFDC-UHFFFAOYSA-N
MW348.45 g/mol
LogP4.55
Rot. Bonds5

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

3-[5-[2-(1-phenylcyclohexyl)ethyl]-1,2,4-oxadiazol-3-yl]pyridin-2-amine (PubChem CID 56949141) has the molecular formula C21H24N4O and a molecular weight of 348.45 g/mol. Its IUPAC name is 3-[5-[2-(1-phenylcyclohexyl)ethyl]-1,2,4-oxadiazol-3-yl]pyridin-2-amine.

Molecular Properties

Compound Name3-[5-[2-(1-phenylcyclohexyl)ethyl]-1,2,4-oxadiazol-3-yl]pyridin-2-amine
PubChem CID56949141
Molecular FormulaC21H24N4O
Molecular Weight348.45 g/mol
Exact Mass348.20
IUPAC Name3-[5-[2-(1-phenylcyclohexyl)ethyl]-1,2,4-oxadiazol-3-yl]pyridin-2-amine
SMILESNc1ncccc1-c1noc(CCC2(c3ccccc3)CCCCC2)n1
InChIInChI=1S/C21H24N4O/c22-19-17(10-7-15-23-19)20-24-18(26-25-20)11-14-21(12-5-2-6-13-21)16-8-3-1-4-9-16/h1,3-4,7-10,15H,2,5-6,11-14H2,(H2,22,23)
InChIKeyWEIDXYQXIRCFDC-UHFFFAOYSA-N
XLogP4.55
TPSA77.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.45
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[5-[2-(1-phenylcyclohexyl)ethyl]-1,2,4-oxadiazol-3-yl]pyridin-2-amine?
The IUPAC name of 3-[5-[2-(1-phenylcyclohexyl)ethyl]-1,2,4-oxadiazol-3-yl]pyridin-2-amine (CID 56949141) is 3-[5-[2-(1-phenylcyclohexyl)ethyl]-1,2,4-oxadiazol-3-yl]pyridin-2-amine.
What is the SMILES notation for 3-[5-[2-(1-phenylcyclohexyl)ethyl]-1,2,4-oxadiazol-3-yl]pyridin-2-amine?
The canonical SMILES for 3-[5-[2-(1-phenylcyclohexyl)ethyl]-1,2,4-oxadiazol-3-yl]pyridin-2-amine is Nc1ncccc1-c1noc(CCC2(c3ccccc3)CCCCC2)n1.
What is the InChIKey of 3-[5-[2-(1-phenylcyclohexyl)ethyl]-1,2,4-oxadiazol-3-yl]pyridin-2-amine?
The InChIKey is WEIDXYQXIRCFDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O/c22-19-17(10-7-15-23-19)20-24-18(26-25-20)11-14-21(12-5-2-6-13-21)16-8-3-1-4-9-16/h1,3-4,7-10,15H,2,5-6,11-14H2,(H2,22,23).
What are the key properties of 3-[5-[2-(1-phenylcyclohexyl)ethyl]-1,2,4-oxadiazol-3-yl]pyridin-2-amine?
3-[5-[2-(1-phenylcyclohexyl)ethyl]-1,2,4-oxadiazol-3-yl]pyridin-2-amine has a molecular weight of 348.45 g/mol, XLogP of 4.55, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-[2-(1-phenylcyclohexyl)ethyl]-1,2,4-oxadiazol-3-yl]pyridin-2-amine is sourced from PubChem (CID 56949141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).