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

C17H15FN2O — CID 71088156

IUPAC3-[4-(3-fluorophenyl)phenyl]-5-propan-2-yl-1,2,4-oxadiazole
SMILESCC(C)c1nc(-c2ccc(-c3cccc(F)c3)cc2)no1
InChIInChI=1S/C17H15FN2O/c1-11(2)17-19-16(20-21-17)13-8-6-12(7-9-13)14-4-3-5-15(18)10-14/h3-11H,1-2H3
InChIKeyNHWNRZAYDSYDDG-UHFFFAOYSA-N
MW282.32 g/mol
LogP4.67
Rot. Bonds3

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

3-[4-(3-fluorophenyl)phenyl]-5-propan-2-yl-1,2,4-oxadiazole (PubChem CID 71088156) has the molecular formula C17H15FN2O and a molecular weight of 282.32 g/mol. Its IUPAC name is 3-[4-(3-fluorophenyl)phenyl]-5-propan-2-yl-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-[4-(3-fluorophenyl)phenyl]-5-propan-2-yl-1,2,4-oxadiazole
PubChem CID71088156
Molecular FormulaC17H15FN2O
Molecular Weight282.32 g/mol
Exact Mass282.12
IUPAC Name3-[4-(3-fluorophenyl)phenyl]-5-propan-2-yl-1,2,4-oxadiazole
SMILESCC(C)c1nc(-c2ccc(-c3cccc(F)c3)cc2)no1
InChIInChI=1S/C17H15FN2O/c1-11(2)17-19-16(20-21-17)13-8-6-12(7-9-13)14-4-3-5-15(18)10-14/h3-11H,1-2H3
InChIKeyNHWNRZAYDSYDDG-UHFFFAOYSA-N
XLogP4.67
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.32
LogP ≤ 54.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(1S)-1-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethanamine;hydrochloride
CID 162768019
(1R,2R)-1-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]-2-methoxypropan-1-amine;hydrochloride
CID 162768050
4-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)phenol
CID 135912791
3-(3-fluorophenyl)-5-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]-1,2,4-oxadiazole
CID 139220637
3-(3-fluorophenyl)-5-(1-piperazin-1-ylethyl)-1,2,4-oxadiazole
CID 62311650
3-[4-[2-(3-fluorophenyl)ethynyl]phenyl]-5-(1-methoxyethyl)-1,2,4-oxadiazole
CID 71088056
N-[1-[3-[5-(3-fluorophenyl)-2-pyridinyl]-1,2,4-oxadiazol-5-yl]ethyl]cyclopropanamine
CID 71088334
2-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-propylpentan-3-amine
CID 63560867
2-amino-N-[1-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]acetamide
CID 119342756
(1R)-1-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]-3-methylsulfanylpropan-1-amine
CID 93093235
4-[2-(3-fluorophenyl)ethynyl]-N'-hydroxybenzenecarboximidamide;3-[4-[2-(3-fluorophenyl)ethynyl]phenyl]-5-propan-2-yl-1,2,4-oxadiazole;2-methylpropanoyl chloride
CID 172984665
3-(3-fluorophenyl)-5-(trichloromethyl)-1,2,4-oxadiazole
CID 59651736

Frequently Asked Questions

What is the IUPAC name of 3-[4-(3-fluorophenyl)phenyl]-5-propan-2-yl-1,2,4-oxadiazole?
The IUPAC name of 3-[4-(3-fluorophenyl)phenyl]-5-propan-2-yl-1,2,4-oxadiazole (CID 71088156) is 3-[4-(3-fluorophenyl)phenyl]-5-propan-2-yl-1,2,4-oxadiazole.
What is the SMILES notation for 3-[4-(3-fluorophenyl)phenyl]-5-propan-2-yl-1,2,4-oxadiazole?
The canonical SMILES for 3-[4-(3-fluorophenyl)phenyl]-5-propan-2-yl-1,2,4-oxadiazole is CC(C)c1nc(-c2ccc(-c3cccc(F)c3)cc2)no1.
What is the InChIKey of 3-[4-(3-fluorophenyl)phenyl]-5-propan-2-yl-1,2,4-oxadiazole?
The InChIKey is NHWNRZAYDSYDDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15FN2O/c1-11(2)17-19-16(20-21-17)13-8-6-12(7-9-13)14-4-3-5-15(18)10-14/h3-11H,1-2H3.
What are the key properties of 3-[4-(3-fluorophenyl)phenyl]-5-propan-2-yl-1,2,4-oxadiazole?
3-[4-(3-fluorophenyl)phenyl]-5-propan-2-yl-1,2,4-oxadiazole has a molecular weight of 282.32 g/mol, XLogP of 4.67, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(3-fluorophenyl)phenyl]-5-propan-2-yl-1,2,4-oxadiazole is sourced from PubChem (CID 71088156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).