3-(4-chlorophenyl)-5-(4-pentylcyclohexyl)-1,2,4-oxadiazole

C19H25ClN2O — CID 3100638

IUPAC3-(4-chlorophenyl)-5-(4-pentylcyclohexyl)-1,2,4-oxadiazole
SMILESCCCCCC1CCC(c2nc(-c3ccc(Cl)cc3)no2)CC1
InChIInChI=1S/C19H25ClN2O/c1-2-3-4-5-14-6-8-16(9-7-14)19-21-18(22-23-19)15-10-12-17(20)13-11-15/h10-14,16H,2-9H2,1H3
InChIKeyNQSZZJNDHSIBTH-UHFFFAOYSA-N
MW332.88 g/mol
LogP6.24
Rot. Bonds6

About 3-(4-chlorophenyl)-5-(4-pentylcyclohexyl)-1,2,4-oxadiazole

3-(4-chlorophenyl)-5-(4-pentylcyclohexyl)-1,2,4-oxadiazole (PubChem CID 3100638) has the molecular formula C19H25ClN2O and a molecular weight of 332.88 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-5-(4-pentylcyclohexyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-(4-chlorophenyl)-5-(4-pentylcyclohexyl)-1,2,4-oxadiazole
PubChem CID3100638
Molecular FormulaC19H25ClN2O
Molecular Weight332.88 g/mol
Exact Mass332.17
IUPAC Name3-(4-chlorophenyl)-5-(4-pentylcyclohexyl)-1,2,4-oxadiazole
SMILESCCCCCC1CCC(c2nc(-c3ccc(Cl)cc3)no2)CC1
InChIInChI=1S/C19H25ClN2O/c1-2-3-4-5-14-6-8-16(9-7-14)19-21-18(22-23-19)15-10-12-17(20)13-11-15/h10-14,16H,2-9H2,1H3
InChIKeyNQSZZJNDHSIBTH-UHFFFAOYSA-N
XLogP6.24
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500332.88
LogP ≤ 56.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-(4-hexylcyclohexyl)-3-pyridin-4-yl-1,2,4-oxadiazole
CID 5008897
3-(4-bromophenyl)-5-(4-propylcyclohexyl)-1,2,4-oxadiazole
CID 3095342
3-[4-(4-fluorophenyl)phenyl]-5-(4-propylcyclohexyl)-1,2,4-oxadiazole
CID 3095336
1-[4-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]hexan-1-one
CID 5149726
4-[5-(4-pentylcyclohexyl)-1,2,4-oxadiazol-3-yl]pyridine-2-carboxylic acid
CID 141117587
3-[4-(4-pentylcyclohexyl)phenyl]-5-[2-[4-(4-pentylcyclohexyl)phenyl]phenyl]-1,2,4-oxadiazole
CID 4260487
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
3-(4-chlorophenyl)-5-[(3R)-1-methylpiperidin-3-yl]-1,2,4-oxadiazole
CID 95276072
5-(4-methoxyphenyl)-3-[4-(4-pentylcyclohexyl)phenyl]-1,2,4-oxadiazole
CID 3884067
2-(4-chlorophenyl)-5-[4-(4-pentylcyclohexyl)phenyl]-1,3,4-oxadiazole
CID 3095305
[4-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]cyclohexyl]methanamine
CID 56770489

Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-5-(4-pentylcyclohexyl)-1,2,4-oxadiazole?
The IUPAC name of 3-(4-chlorophenyl)-5-(4-pentylcyclohexyl)-1,2,4-oxadiazole (CID 3100638) is 3-(4-chlorophenyl)-5-(4-pentylcyclohexyl)-1,2,4-oxadiazole.
What is the SMILES notation for 3-(4-chlorophenyl)-5-(4-pentylcyclohexyl)-1,2,4-oxadiazole?
The canonical SMILES for 3-(4-chlorophenyl)-5-(4-pentylcyclohexyl)-1,2,4-oxadiazole is CCCCCC1CCC(c2nc(-c3ccc(Cl)cc3)no2)CC1.
What is the InChIKey of 3-(4-chlorophenyl)-5-(4-pentylcyclohexyl)-1,2,4-oxadiazole?
The InChIKey is NQSZZJNDHSIBTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25ClN2O/c1-2-3-4-5-14-6-8-16(9-7-14)19-21-18(22-23-19)15-10-12-17(20)13-11-15/h10-14,16H,2-9H2,1H3.
What are the key properties of 3-(4-chlorophenyl)-5-(4-pentylcyclohexyl)-1,2,4-oxadiazole?
3-(4-chlorophenyl)-5-(4-pentylcyclohexyl)-1,2,4-oxadiazole has a molecular weight of 332.88 g/mol, XLogP of 6.24, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-5-(4-pentylcyclohexyl)-1,2,4-oxadiazole is sourced from PubChem (CID 3100638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).