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

C12H11FN2O3 — CID 63344235

IUPAC1-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]-3-methoxypropan-2-one
SMILESCOCC(=O)Cc1nc(-c2cccc(F)c2)no1
InChIInChI=1S/C12H11FN2O3/c1-17-7-10(16)6-11-14-12(15-18-11)8-3-2-4-9(13)5-8/h2-5H,6-7H2,1H3
InChIKeyZUJAQLZOZXURCL-UHFFFAOYSA-N
MW250.23 g/mol
LogP1.63
Rot. Bonds5

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

1-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]-3-methoxypropan-2-one (PubChem CID 63344235) has the molecular formula C12H11FN2O3 and a molecular weight of 250.23 g/mol. Its IUPAC name is 1-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]-3-methoxypropan-2-one.

Molecular Properties

Compound Name1-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]-3-methoxypropan-2-one
PubChem CID63344235
Molecular FormulaC12H11FN2O3
Molecular Weight250.23 g/mol
Exact Mass250.08
IUPAC Name1-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]-3-methoxypropan-2-one
SMILESCOCC(=O)Cc1nc(-c2cccc(F)c2)no1
InChIInChI=1S/C12H11FN2O3/c1-17-7-10(16)6-11-14-12(15-18-11)8-3-2-4-9(13)5-8/h2-5H,6-7H2,1H3
InChIKeyZUJAQLZOZXURCL-UHFFFAOYSA-N
XLogP1.63
TPSA65.22 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.23
LogP ≤ 51.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-methoxy-3-[3-(3-nitrophenyl)-1,2,4-oxadiazol-5-yl]propan-2-one
CID 63344715
2-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]-1-phenylethanone
CID 63345430
[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl acetate
CID 129267909
acetamide;[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]methanamine
CID 145151193
1-methoxy-3-(3-naphthalen-1-yl-1,2,4-oxadiazol-5-yl)propan-2-one
CID 63344557
1-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]-3-methylbutan-2-ol
CID 63346038
3-(3-fluorophenyl)-1,2,4-oxadiazole-5-carboxylic acid
CID 69195463
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
1-[[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-3-(2-methoxyethyl)thiourea
CID 134354924
1-[3-(2-bromo-4-methylphenyl)-1,2,4-oxadiazol-5-yl]-3-methoxypropan-2-one
CID 114015496
3-(3-fluorophenyl)-5-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]-1,2,4-oxadiazole
CID 139220637

Frequently Asked Questions

What is the IUPAC name of 1-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]-3-methoxypropan-2-one?
The IUPAC name of 1-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]-3-methoxypropan-2-one (CID 63344235) is 1-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]-3-methoxypropan-2-one.
What is the SMILES notation for 1-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]-3-methoxypropan-2-one?
The canonical SMILES for 1-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]-3-methoxypropan-2-one is COCC(=O)Cc1nc(-c2cccc(F)c2)no1.
What is the InChIKey of 1-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]-3-methoxypropan-2-one?
The InChIKey is ZUJAQLZOZXURCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11FN2O3/c1-17-7-10(16)6-11-14-12(15-18-11)8-3-2-4-9(13)5-8/h2-5H,6-7H2,1H3.
What are the key properties of 1-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]-3-methoxypropan-2-one?
1-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]-3-methoxypropan-2-one has a molecular weight of 250.23 g/mol, XLogP of 1.63, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]-3-methoxypropan-2-one is sourced from PubChem (CID 63344235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).