2-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]-1-phenylethanone

C16H11FN2O2 — CID 63345430

IUPAC2-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]-1-phenylethanone
SMILESO=C(Cc1nc(-c2cccc(F)c2)no1)c1ccccc1
InChIInChI=1S/C16H11FN2O2/c17-13-8-4-7-12(9-13)16-18-15(21-19-16)10-14(20)11-5-2-1-3-6-11/h1-9H,10H2
InChIKeyFPHLUOSPLKBFBV-UHFFFAOYSA-N
MW282.27 g/mol
LogP3.30
Rot. Bonds4

About 2-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]-1-phenylethanone

2-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]-1-phenylethanone (PubChem CID 63345430) has the molecular formula C16H11FN2O2 and a molecular weight of 282.27 g/mol. Its IUPAC name is 2-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]-1-phenylethanone.

Molecular Properties

Compound Name2-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]-1-phenylethanone
PubChem CID63345430
Molecular FormulaC16H11FN2O2
Molecular Weight282.27 g/mol
Exact Mass282.08
IUPAC Name2-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]-1-phenylethanone
SMILESO=C(Cc1nc(-c2cccc(F)c2)no1)c1ccccc1
InChIInChI=1S/C16H11FN2O2/c17-13-8-4-7-12(9-13)16-18-15(21-19-16)10-14(20)11-5-2-1-3-6-11/h1-9H,10H2
InChIKeyFPHLUOSPLKBFBV-UHFFFAOYSA-N
XLogP3.30
TPSA55.99 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.27
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]-3-methoxypropan-2-one
CID 63344235
acetamide;[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]methanamine
CID 145151193
[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl acetate
CID 129267909
3-(3-fluorophenyl)-1,2,4-oxadiazole-5-carboxylic acid
CID 69195463
1-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]-3-methylbutan-2-ol
CID 63346038
2-(3-phenyl-1,2,4-oxadiazol-5-yl)acetic acid
CID 7017713
3-(3-fluorophenyl)-5-[(2S)-3,3,3-trifluoro-2-phenylpropyl]-1,2,4-oxadiazole
CID 99037879
3-(3-fluorophenyl)-5-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]-1,2,4-oxadiazole
CID 139220637
3-fluoro-N-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]-N-propylbenzamide
CID 83281960
3-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-propan-2-ylpropanamide
CID 100754453
[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl 2,5-difluorobenzoate
CID 46856583
N-(2-ethylphenyl)-3-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 100754661

Frequently Asked Questions

What is the IUPAC name of 2-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]-1-phenylethanone?
The IUPAC name of 2-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]-1-phenylethanone (CID 63345430) is 2-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]-1-phenylethanone.
What is the SMILES notation for 2-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]-1-phenylethanone?
The canonical SMILES for 2-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]-1-phenylethanone is O=C(Cc1nc(-c2cccc(F)c2)no1)c1ccccc1.
What is the InChIKey of 2-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]-1-phenylethanone?
The InChIKey is FPHLUOSPLKBFBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11FN2O2/c17-13-8-4-7-12(9-13)16-18-15(21-19-16)10-14(20)11-5-2-1-3-6-11/h1-9H,10H2.
What are the key properties of 2-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]-1-phenylethanone?
2-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]-1-phenylethanone has a molecular weight of 282.27 g/mol, XLogP of 3.30, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]-1-phenylethanone is sourced from PubChem (CID 63345430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).