5-[2-(4-fluorophenyl)quinolin-4-yl]-3-[4-(4-propylcyclohexyl)phenyl]-1,2,4-oxadiazole

C32H30FN3O — CID 4031903

IUPAC5-[2-(4-fluorophenyl)quinolin-4-yl]-3-[4-(4-propylcyclohexyl)phenyl]-1,2,4-oxadiazole
SMILESCCCC1CCC(c2ccc(-c3noc(-c4cc(-c5ccc(F)cc5)nc5ccccc45)n3)cc2)CC1
InChIInChI=1S/C32H30FN3O/c1-2-5-21-8-10-22(11-9-21)23-12-14-25(15-13-23)31-35-32(37-36-31)28-20-30(24-16-18-26(33)19-17-24)34-29-7-4-3-6-27(28)29/h3-4,6-7,12-22H,2,5,8-11H2,1H3
InChIKeyISSOKKZOLADYOE-UHFFFAOYSA-N
MW491.61 g/mol
LogP8.83
Rot. Bonds6

About 5-[2-(4-fluorophenyl)quinolin-4-yl]-3-[4-(4-propylcyclohexyl)phenyl]-1,2,4-oxadiazole

5-[2-(4-fluorophenyl)quinolin-4-yl]-3-[4-(4-propylcyclohexyl)phenyl]-1,2,4-oxadiazole (PubChem CID 4031903) has the molecular formula C32H30FN3O and a molecular weight of 491.61 g/mol. Its IUPAC name is 5-[2-(4-fluorophenyl)quinolin-4-yl]-3-[4-(4-propylcyclohexyl)phenyl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-[2-(4-fluorophenyl)quinolin-4-yl]-3-[4-(4-propylcyclohexyl)phenyl]-1,2,4-oxadiazole
PubChem CID4031903
Molecular FormulaC32H30FN3O
Molecular Weight491.61 g/mol
Exact Mass491.24
IUPAC Name5-[2-(4-fluorophenyl)quinolin-4-yl]-3-[4-(4-propylcyclohexyl)phenyl]-1,2,4-oxadiazole
SMILESCCCC1CCC(c2ccc(-c3noc(-c4cc(-c5ccc(F)cc5)nc5ccccc45)n3)cc2)CC1
InChIInChI=1S/C32H30FN3O/c1-2-5-21-8-10-22(11-9-21)23-12-14-25(15-13-23)31-35-32(37-36-31)28-20-30(24-16-18-26(33)19-17-24)34-29-7-4-3-6-27(28)29/h3-4,6-7,12-22H,2,5,8-11H2,1H3
InChIKeyISSOKKZOLADYOE-UHFFFAOYSA-N
XLogP8.83
TPSA51.81 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500491.61
LogP ≤ 58.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[2-(4-fluorophenyl)quinolin-4-yl]-3-[4-(4-propylcyclohexyl)phenyl]-1,2,4-oxadiazole?
The IUPAC name of 5-[2-(4-fluorophenyl)quinolin-4-yl]-3-[4-(4-propylcyclohexyl)phenyl]-1,2,4-oxadiazole (CID 4031903) is 5-[2-(4-fluorophenyl)quinolin-4-yl]-3-[4-(4-propylcyclohexyl)phenyl]-1,2,4-oxadiazole.
What is the SMILES notation for 5-[2-(4-fluorophenyl)quinolin-4-yl]-3-[4-(4-propylcyclohexyl)phenyl]-1,2,4-oxadiazole?
The canonical SMILES for 5-[2-(4-fluorophenyl)quinolin-4-yl]-3-[4-(4-propylcyclohexyl)phenyl]-1,2,4-oxadiazole is CCCC1CCC(c2ccc(-c3noc(-c4cc(-c5ccc(F)cc5)nc5ccccc45)n3)cc2)CC1.
What is the InChIKey of 5-[2-(4-fluorophenyl)quinolin-4-yl]-3-[4-(4-propylcyclohexyl)phenyl]-1,2,4-oxadiazole?
The InChIKey is ISSOKKZOLADYOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H30FN3O/c1-2-5-21-8-10-22(11-9-21)23-12-14-25(15-13-23)31-35-32(37-36-31)28-20-30(24-16-18-26(33)19-17-24)34-29-7-4-3-6-27(28)29/h3-4,6-7,12-22H,2,5,8-11H2,1H3.
What are the key properties of 5-[2-(4-fluorophenyl)quinolin-4-yl]-3-[4-(4-propylcyclohexyl)phenyl]-1,2,4-oxadiazole?
5-[2-(4-fluorophenyl)quinolin-4-yl]-3-[4-(4-propylcyclohexyl)phenyl]-1,2,4-oxadiazole has a molecular weight of 491.61 g/mol, XLogP of 8.83, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(4-fluorophenyl)quinolin-4-yl]-3-[4-(4-propylcyclohexyl)phenyl]-1,2,4-oxadiazole is sourced from PubChem (CID 4031903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).