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

C23H25FN2O — CID 3095336

IUPAC3-[4-(4-fluorophenyl)phenyl]-5-(4-propylcyclohexyl)-1,2,4-oxadiazole
SMILESCCCC1CCC(c2nc(-c3ccc(-c4ccc(F)cc4)cc3)no2)CC1
InChIInChI=1S/C23H25FN2O/c1-2-3-16-4-6-20(7-5-16)23-25-22(26-27-23)19-10-8-17(9-11-19)18-12-14-21(24)15-13-18/h8-16,20H,2-7H2,1H3
InChIKeyPYCDAGSBLLMBNN-UHFFFAOYSA-N
MW364.46 g/mol
LogP6.62
Rot. Bonds5

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

3-[4-(4-fluorophenyl)phenyl]-5-(4-propylcyclohexyl)-1,2,4-oxadiazole (PubChem CID 3095336) has the molecular formula C23H25FN2O and a molecular weight of 364.46 g/mol. Its IUPAC name is 3-[4-(4-fluorophenyl)phenyl]-5-(4-propylcyclohexyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-[4-(4-fluorophenyl)phenyl]-5-(4-propylcyclohexyl)-1,2,4-oxadiazole
PubChem CID3095336
Molecular FormulaC23H25FN2O
Molecular Weight364.46 g/mol
Exact Mass364.20
IUPAC Name3-[4-(4-fluorophenyl)phenyl]-5-(4-propylcyclohexyl)-1,2,4-oxadiazole
SMILESCCCC1CCC(c2nc(-c3ccc(-c4ccc(F)cc4)cc3)no2)CC1
InChIInChI=1S/C23H25FN2O/c1-2-3-16-4-6-20(7-5-16)23-25-22(26-27-23)19-10-8-17(9-11-19)18-12-14-21(24)15-13-18/h8-16,20H,2-7H2,1H3
InChIKeyPYCDAGSBLLMBNN-UHFFFAOYSA-N
XLogP6.62
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500364.46
LogP ≤ 56.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-(4-bromophenyl)-5-(4-propylcyclohexyl)-1,2,4-oxadiazole
CID 3095342
3-(2,6-difluorophenyl)-5-(4-propylcyclohexyl)-1,2,4-oxadiazole
CID 20967059
3-(4-chlorophenyl)-5-(4-pentylcyclohexyl)-1,2,4-oxadiazole
CID 3100638
5-(4-fluorophenyl)-3-(4-propylcyclohexyl)-1,2,4-oxadiazole
CID 141290235
5-(4-hexylcyclohexyl)-3-pyridin-4-yl-1,2,4-oxadiazole
CID 5008897
1-fluoro-4-[4-(4-propylcyclohexyl)phenyl]benzene
CID 611152
5-cyclopropyl-3-[4-[(4-fluorophenyl)methoxy]phenyl]-1,2,4-oxadiazole
CID 42851402
[4-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]cyclohexyl]methanamine
CID 56770489
5-[2-(4-fluorophenyl)quinolin-4-yl]-3-[4-(4-propylcyclohexyl)phenyl]-1,2,4-oxadiazole
CID 4031903
1-[3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-2-methylpropan-2-ol
CID 111112622
[4-[3-(3,5-difluorophenyl)-1,2,4-oxadiazol-5-yl]cyclohexyl]methanamine
CID 79526331
[4-[3-(3,4-difluorophenyl)-1,2,4-oxadiazol-5-yl]cyclohexyl]methanamine
CID 79526044

Frequently Asked Questions

What is the IUPAC name of 3-[4-(4-fluorophenyl)phenyl]-5-(4-propylcyclohexyl)-1,2,4-oxadiazole?
The IUPAC name of 3-[4-(4-fluorophenyl)phenyl]-5-(4-propylcyclohexyl)-1,2,4-oxadiazole (CID 3095336) is 3-[4-(4-fluorophenyl)phenyl]-5-(4-propylcyclohexyl)-1,2,4-oxadiazole.
What is the SMILES notation for 3-[4-(4-fluorophenyl)phenyl]-5-(4-propylcyclohexyl)-1,2,4-oxadiazole?
The canonical SMILES for 3-[4-(4-fluorophenyl)phenyl]-5-(4-propylcyclohexyl)-1,2,4-oxadiazole is CCCC1CCC(c2nc(-c3ccc(-c4ccc(F)cc4)cc3)no2)CC1.
What is the InChIKey of 3-[4-(4-fluorophenyl)phenyl]-5-(4-propylcyclohexyl)-1,2,4-oxadiazole?
The InChIKey is PYCDAGSBLLMBNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25FN2O/c1-2-3-16-4-6-20(7-5-16)23-25-22(26-27-23)19-10-8-17(9-11-19)18-12-14-21(24)15-13-18/h8-16,20H,2-7H2,1H3.
What are the key properties of 3-[4-(4-fluorophenyl)phenyl]-5-(4-propylcyclohexyl)-1,2,4-oxadiazole?
3-[4-(4-fluorophenyl)phenyl]-5-(4-propylcyclohexyl)-1,2,4-oxadiazole has a molecular weight of 364.46 g/mol, XLogP of 6.62, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(4-fluorophenyl)phenyl]-5-(4-propylcyclohexyl)-1,2,4-oxadiazole is sourced from PubChem (CID 3095336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).