5-[4-(4-pentylcyclohexyl)phenyl]-3-pyridin-3-yl-1,2,4-oxadiazole

C24H29N3O — CID 3417863

IUPAC5-[4-(4-pentylcyclohexyl)phenyl]-3-pyridin-3-yl-1,2,4-oxadiazole
SMILESCCCCCC1CCC(c2ccc(-c3nc(-c4cccnc4)no3)cc2)CC1
InChIInChI=1S/C24H29N3O/c1-2-3-4-6-18-8-10-19(11-9-18)20-12-14-21(15-13-20)24-26-23(27-28-24)22-7-5-16-25-17-22/h5,7,12-19H,2-4,6,8-11H2,1H3
InChIKeyCPDKSEASJDCPNW-UHFFFAOYSA-N
MW375.52 g/mol
LogP6.65
Rot. Bonds7

About 5-[4-(4-pentylcyclohexyl)phenyl]-3-pyridin-3-yl-1,2,4-oxadiazole

5-[4-(4-pentylcyclohexyl)phenyl]-3-pyridin-3-yl-1,2,4-oxadiazole (PubChem CID 3417863) has the molecular formula C24H29N3O and a molecular weight of 375.52 g/mol. Its IUPAC name is 5-[4-(4-pentylcyclohexyl)phenyl]-3-pyridin-3-yl-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-[4-(4-pentylcyclohexyl)phenyl]-3-pyridin-3-yl-1,2,4-oxadiazole
PubChem CID3417863
Molecular FormulaC24H29N3O
Molecular Weight375.52 g/mol
Exact Mass375.23
IUPAC Name5-[4-(4-pentylcyclohexyl)phenyl]-3-pyridin-3-yl-1,2,4-oxadiazole
SMILESCCCCCC1CCC(c2ccc(-c3nc(-c4cccnc4)no3)cc2)CC1
InChIInChI=1S/C24H29N3O/c1-2-3-4-6-18-8-10-19(11-9-18)20-12-14-21(15-13-20)24-26-23(27-28-24)22-7-5-16-25-17-22/h5,7,12-19H,2-4,6,8-11H2,1H3
InChIKeyCPDKSEASJDCPNW-UHFFFAOYSA-N
XLogP6.65
TPSA51.81 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500375.52
LogP ≤ 56.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 5-[4-(4-pentylcyclohexyl)phenyl]-3-pyridin-3-yl-1,2,4-oxadiazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

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
5-[4-(4-pentylphenyl)phenyl]-3-pyridin-3-yl-1,2,4-oxadiazole
CID 35216489
3-[4-[4-(4-pentylcyclohexyl)phenyl]phenyl]-5-propyl-1,2,4-oxadiazole
CID 101044576
5-butyl-3-[4-[4-(4-pentylcyclohexyl)phenyl]phenyl]-1,2,4-oxadiazole
CID 3304464
1-(4-heptylcyclohexyl)-4-[4-(4-heptylcyclohexyl)phenyl]benzene
CID 20538283
1-(4-hexylcyclohexyl)-4-[4-(4-hexylcyclohexyl)phenyl]benzene
CID 20538420
1-(4-octylcyclohexyl)-4-[4-(4-pentylcyclohexyl)phenyl]benzene
CID 20538109
5-(4-butylcyclohexyl)-2-[4-(4-pentylcyclohexyl)phenyl]pyrimidine
CID 15114350
pyridin-3-yl 4-(4-pentylcyclohexyl)benzoate
CID 4518749
5-(4-hexylcyclohexyl)-3-pyridin-4-yl-1,2,4-oxadiazole
CID 5008897
1-bromo-4-[4-(4-pentylcyclohexyl)phenyl]benzene
CID 15135338

Frequently Asked Questions

What is the IUPAC name of 5-[4-(4-pentylcyclohexyl)phenyl]-3-pyridin-3-yl-1,2,4-oxadiazole?
The IUPAC name of 5-[4-(4-pentylcyclohexyl)phenyl]-3-pyridin-3-yl-1,2,4-oxadiazole (CID 3417863) is 5-[4-(4-pentylcyclohexyl)phenyl]-3-pyridin-3-yl-1,2,4-oxadiazole.
What is the SMILES notation for 5-[4-(4-pentylcyclohexyl)phenyl]-3-pyridin-3-yl-1,2,4-oxadiazole?
The canonical SMILES for 5-[4-(4-pentylcyclohexyl)phenyl]-3-pyridin-3-yl-1,2,4-oxadiazole is CCCCCC1CCC(c2ccc(-c3nc(-c4cccnc4)no3)cc2)CC1.
What is the InChIKey of 5-[4-(4-pentylcyclohexyl)phenyl]-3-pyridin-3-yl-1,2,4-oxadiazole?
The InChIKey is CPDKSEASJDCPNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N3O/c1-2-3-4-6-18-8-10-19(11-9-18)20-12-14-21(15-13-20)24-26-23(27-28-24)22-7-5-16-25-17-22/h5,7,12-19H,2-4,6,8-11H2,1H3.
What are the key properties of 5-[4-(4-pentylcyclohexyl)phenyl]-3-pyridin-3-yl-1,2,4-oxadiazole?
5-[4-(4-pentylcyclohexyl)phenyl]-3-pyridin-3-yl-1,2,4-oxadiazole has a molecular weight of 375.52 g/mol, XLogP of 6.65, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(4-pentylcyclohexyl)phenyl]-3-pyridin-3-yl-1,2,4-oxadiazole is sourced from PubChem (CID 3417863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).