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

C19H27N3O — CID 5008897

IUPAC5-(4-hexylcyclohexyl)-3-pyridin-4-yl-1,2,4-oxadiazole
SMILESCCCCCCC1CCC(c2nc(-c3ccncc3)no2)CC1
InChIInChI=1S/C19H27N3O/c1-2-3-4-5-6-15-7-9-17(10-8-15)19-21-18(22-23-19)16-11-13-20-14-12-16/h11-15,17H,2-10H2,1H3
InChIKeyFONPYAVSAWOAEN-UHFFFAOYSA-N
MW313.44 g/mol
LogP5.38
Rot. Bonds7

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

5-(4-hexylcyclohexyl)-3-pyridin-4-yl-1,2,4-oxadiazole (PubChem CID 5008897) has the molecular formula C19H27N3O and a molecular weight of 313.44 g/mol. Its IUPAC name is 5-(4-hexylcyclohexyl)-3-pyridin-4-yl-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-(4-hexylcyclohexyl)-3-pyridin-4-yl-1,2,4-oxadiazole
PubChem CID5008897
Molecular FormulaC19H27N3O
Molecular Weight313.44 g/mol
Exact Mass313.22
IUPAC Name5-(4-hexylcyclohexyl)-3-pyridin-4-yl-1,2,4-oxadiazole
SMILESCCCCCCC1CCC(c2nc(-c3ccncc3)no2)CC1
InChIInChI=1S/C19H27N3O/c1-2-3-4-5-6-15-7-9-17(10-8-15)19-21-18(22-23-19)16-11-13-20-14-12-16/h11-15,17H,2-10H2,1H3
InChIKeyFONPYAVSAWOAEN-UHFFFAOYSA-N
XLogP5.38
TPSA51.81 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500313.44
LogP ≤ 55.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-(4-chlorophenyl)-5-(4-pentylcyclohexyl)-1,2,4-oxadiazole
CID 3100638
4-[5-(4-pentylcyclohexyl)-1,2,4-oxadiazol-3-yl]pyridine-2-carboxylic acid
CID 141117587
3-(4-bromophenyl)-5-(4-propylcyclohexyl)-1,2,4-oxadiazole
CID 3095342
N-ethyl-4-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)cyclohexan-1-amine
CID 63347579
3-[4-(4-fluorophenyl)phenyl]-5-(4-propylcyclohexyl)-1,2,4-oxadiazole
CID 3095336
5-butyl-3-[4-[4-(4-pentylcyclohexyl)phenyl]phenyl]-1,2,4-oxadiazole
CID 3304464
3-[4-[4-(4-pentylcyclohexyl)phenyl]phenyl]-5-propyl-1,2,4-oxadiazole
CID 101044576
[4-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)cyclohexyl]methanediol
CID 143066864
5-[4-(4-pentylcyclohexyl)phenyl]-3-pyridin-3-yl-1,2,4-oxadiazole
CID 3417863
5-(4-methoxyphenyl)-3-[4-(4-pentylcyclohexyl)phenyl]-1,2,4-oxadiazole
CID 3884067
3-[4-(4-pentylcyclohexyl)phenyl]-5-[2-[4-(4-pentylcyclohexyl)phenyl]phenyl]-1,2,4-oxadiazole
CID 4260487
[4-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]cyclohexyl]methanamine
CID 56770489

Frequently Asked Questions

What is the IUPAC name of 5-(4-hexylcyclohexyl)-3-pyridin-4-yl-1,2,4-oxadiazole?
The IUPAC name of 5-(4-hexylcyclohexyl)-3-pyridin-4-yl-1,2,4-oxadiazole (CID 5008897) is 5-(4-hexylcyclohexyl)-3-pyridin-4-yl-1,2,4-oxadiazole.
What is the SMILES notation for 5-(4-hexylcyclohexyl)-3-pyridin-4-yl-1,2,4-oxadiazole?
The canonical SMILES for 5-(4-hexylcyclohexyl)-3-pyridin-4-yl-1,2,4-oxadiazole is CCCCCCC1CCC(c2nc(-c3ccncc3)no2)CC1.
What is the InChIKey of 5-(4-hexylcyclohexyl)-3-pyridin-4-yl-1,2,4-oxadiazole?
The InChIKey is FONPYAVSAWOAEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3O/c1-2-3-4-5-6-15-7-9-17(10-8-15)19-21-18(22-23-19)16-11-13-20-14-12-16/h11-15,17H,2-10H2,1H3.
What are the key properties of 5-(4-hexylcyclohexyl)-3-pyridin-4-yl-1,2,4-oxadiazole?
5-(4-hexylcyclohexyl)-3-pyridin-4-yl-1,2,4-oxadiazole has a molecular weight of 313.44 g/mol, XLogP of 5.38, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-hexylcyclohexyl)-3-pyridin-4-yl-1,2,4-oxadiazole is sourced from PubChem (CID 5008897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).