5-[3-(4-pentylcyclohexyl)-1,2,4-oxadiazol-5-yl]pyridine-2-carbonitrile

C19H24N4O — CID 11301774

IUPAC5-[3-(4-pentylcyclohexyl)-1,2,4-oxadiazol-5-yl]pyridine-2-carbonitrile
SMILESCCCCCC1CCC(c2noc(-c3ccc(C#N)nc3)n2)CC1
InChIInChI=1S/C19H24N4O/c1-2-3-4-5-14-6-8-15(9-7-14)18-22-19(24-23-18)16-10-11-17(12-20)21-13-16/h10-11,13-15H,2-9H2,1H3
InChIKeyLGLPKSIGGXNLLT-UHFFFAOYSA-N
MW324.43 g/mol
LogP4.86
Rot. Bonds6

About 5-[3-(4-pentylcyclohexyl)-1,2,4-oxadiazol-5-yl]pyridine-2-carbonitrile

5-[3-(4-pentylcyclohexyl)-1,2,4-oxadiazol-5-yl]pyridine-2-carbonitrile (PubChem CID 11301774) has the molecular formula C19H24N4O and a molecular weight of 324.43 g/mol. Its IUPAC name is 5-[3-(4-pentylcyclohexyl)-1,2,4-oxadiazol-5-yl]pyridine-2-carbonitrile.

Molecular Properties

Compound Name5-[3-(4-pentylcyclohexyl)-1,2,4-oxadiazol-5-yl]pyridine-2-carbonitrile
PubChem CID11301774
Molecular FormulaC19H24N4O
Molecular Weight324.43 g/mol
Exact Mass324.20
IUPAC Name5-[3-(4-pentylcyclohexyl)-1,2,4-oxadiazol-5-yl]pyridine-2-carbonitrile
SMILESCCCCCC1CCC(c2noc(-c3ccc(C#N)nc3)n2)CC1
InChIInChI=1S/C19H24N4O/c1-2-3-4-5-14-6-8-15(9-7-14)18-22-19(24-23-18)16-10-11-17(12-20)21-13-16/h10-11,13-15H,2-9H2,1H3
InChIKeyLGLPKSIGGXNLLT-UHFFFAOYSA-N
XLogP4.86
TPSA75.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.43
LogP ≤ 54.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-(4-butoxyphenyl)-3-(4-butylcyclohexyl)-1,2,4-oxadiazole
CID 3095315
3-(4-hexylcyclohexyl)-5-(4-pentylphenyl)-1,2,4-oxadiazole
CID 4693342
3-(4-butylcyclohexyl)-5-(4-heptylphenyl)-1,2,4-oxadiazole
CID 3095325
3-(4-pentylcyclohexyl)-5-pyrazin-2-yl-1,2,4-oxadiazole
CID 11472119
5-(4-fluorophenyl)-3-(4-propylcyclohexyl)-1,2,4-oxadiazole
CID 141290235
5-[4-(4-octylphenyl)phenyl]-3-[4-(4-propylcyclohexyl)cyclohexyl]-1,2,4-oxadiazole
CID 3100644
5-(4-bromophenyl)-3-[4-(4-propylcyclohexyl)cyclohexyl]-1,2,4-oxadiazole
CID 3100648
3-cyclohexyl-5-[4-(4-propylcyclohexyl)phenyl]-1,2,4-oxadiazole
CID 2179964
5-(4-methoxyphenyl)-3-[4-(4-pentylcyclohexyl)phenyl]-1,2,4-oxadiazole
CID 3884067
5-[4-(4-pentylcyclohexyl)phenyl]-3-pyridin-3-yl-1,2,4-oxadiazole
CID 3417863
4-fluoro-2-[4-(4-pentylcyclohexyl)phenyl]pyrimidine-5-carbonitrile
CID 70492919
3-[4-(4-pentylcyclohexyl)phenyl]-5-[2-[4-(4-pentylcyclohexyl)phenyl]phenyl]-1,2,4-oxadiazole
CID 4260487

Frequently Asked Questions

What is the IUPAC name of 5-[3-(4-pentylcyclohexyl)-1,2,4-oxadiazol-5-yl]pyridine-2-carbonitrile?
The IUPAC name of 5-[3-(4-pentylcyclohexyl)-1,2,4-oxadiazol-5-yl]pyridine-2-carbonitrile (CID 11301774) is 5-[3-(4-pentylcyclohexyl)-1,2,4-oxadiazol-5-yl]pyridine-2-carbonitrile.
What is the SMILES notation for 5-[3-(4-pentylcyclohexyl)-1,2,4-oxadiazol-5-yl]pyridine-2-carbonitrile?
The canonical SMILES for 5-[3-(4-pentylcyclohexyl)-1,2,4-oxadiazol-5-yl]pyridine-2-carbonitrile is CCCCCC1CCC(c2noc(-c3ccc(C#N)nc3)n2)CC1.
What is the InChIKey of 5-[3-(4-pentylcyclohexyl)-1,2,4-oxadiazol-5-yl]pyridine-2-carbonitrile?
The InChIKey is LGLPKSIGGXNLLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O/c1-2-3-4-5-14-6-8-15(9-7-14)18-22-19(24-23-18)16-10-11-17(12-20)21-13-16/h10-11,13-15H,2-9H2,1H3.
What are the key properties of 5-[3-(4-pentylcyclohexyl)-1,2,4-oxadiazol-5-yl]pyridine-2-carbonitrile?
5-[3-(4-pentylcyclohexyl)-1,2,4-oxadiazol-5-yl]pyridine-2-carbonitrile has a molecular weight of 324.43 g/mol, XLogP of 4.86, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(4-pentylcyclohexyl)-1,2,4-oxadiazol-5-yl]pyridine-2-carbonitrile is sourced from PubChem (CID 11301774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).