1-cyclopropyl-2-[3-[(2-fluorophenyl)sulfanylmethyl]-1,2,4-oxadiazol-5-yl]ethanone

C14H13FN2O2S — CID 66084832

IUPAC1-cyclopropyl-2-[3-[(2-fluorophenyl)sulfanylmethyl]-1,2,4-oxadiazol-5-yl]ethanone
SMILESO=C(Cc1nc(CSc2ccccc2F)no1)C1CC1
InChIInChI=1S/C14H13FN2O2S/c15-10-3-1-2-4-12(10)20-8-13-16-14(19-17-13)7-11(18)9-5-6-9/h1-4,9H,5-8H2
InChIKeyQWNRCEYQXUHJKK-UHFFFAOYSA-N
MW292.33 g/mol
LogP3.02
Rot. Bonds6

About 1-cyclopropyl-2-[3-[(2-fluorophenyl)sulfanylmethyl]-1,2,4-oxadiazol-5-yl]ethanone

1-cyclopropyl-2-[3-[(2-fluorophenyl)sulfanylmethyl]-1,2,4-oxadiazol-5-yl]ethanone (PubChem CID 66084832) has the molecular formula C14H13FN2O2S and a molecular weight of 292.33 g/mol. Its IUPAC name is 1-cyclopropyl-2-[3-[(2-fluorophenyl)sulfanylmethyl]-1,2,4-oxadiazol-5-yl]ethanone.

Molecular Properties

Compound Name1-cyclopropyl-2-[3-[(2-fluorophenyl)sulfanylmethyl]-1,2,4-oxadiazol-5-yl]ethanone
PubChem CID66084832
Molecular FormulaC14H13FN2O2S
Molecular Weight292.33 g/mol
Exact Mass292.07
IUPAC Name1-cyclopropyl-2-[3-[(2-fluorophenyl)sulfanylmethyl]-1,2,4-oxadiazol-5-yl]ethanone
SMILESO=C(Cc1nc(CSc2ccccc2F)no1)C1CC1
InChIInChI=1S/C14H13FN2O2S/c15-10-3-1-2-4-12(10)20-8-13-16-14(19-17-13)7-11(18)9-5-6-9/h1-4,9H,5-8H2
InChIKeyQWNRCEYQXUHJKK-UHFFFAOYSA-N
XLogP3.02
TPSA55.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.33
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[3-[(2-fluorophenyl)sulfanylmethyl]-1,2,4-oxadiazol-5-yl]methanol
CID 66085611
1-cyclopropyl-2-[3-[(2-methylphenyl)methyl]-1,2,4-oxadiazol-5-yl]ethanone
CID 55202009
N-[[3-[(2-fluorophenyl)sulfanylmethyl]-1,2,4-oxadiazol-5-yl]methyl]prop-2-yn-1-amine
CID 79275216
3-[(2-fluorophenyl)sulfanylmethyl]-1,2,4-oxadiazol-5-amine
CID 66053977
1-cyclopropyl-1-[3-[(2-fluorophenyl)sulfanylmethyl]-1,2,4-oxadiazol-5-yl]ethanamine
CID 66052441
2-[3-[(4-chlorophenyl)methyl]-1,2,4-oxadiazol-5-yl]-1-cyclopropylethanone
CID 55203154
N-[2-[3-[(2-fluorophenyl)sulfanylmethyl]-1,2,4-oxadiazol-5-yl]ethyl]propan-2-amine
CID 66053027
1-[3-[(2-chlorophenyl)sulfanylmethyl]-1,2,4-oxadiazol-5-yl]-3,3-dimethylbutan-2-one
CID 66154503
2-[[3-[(2-fluorophenyl)sulfanylmethyl]-1,2,4-oxadiazol-5-yl]methyl]butan-1-amine
CID 81072376
1-[3-[(2-fluorophenyl)sulfanylmethyl]-1,2,4-oxadiazol-5-yl]cyclopentan-1-amine
CID 66053210
2-[3-(1H-benzimidazol-2-ylmethyl)-1,2,4-oxadiazol-5-yl]-1-cyclopropylethanone
CID 63639137
3-[3-[(2-fluorophenyl)sulfanylmethyl]-1,2,4-oxadiazol-5-yl]butan-2-ol
CID 66085805

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-2-[3-[(2-fluorophenyl)sulfanylmethyl]-1,2,4-oxadiazol-5-yl]ethanone?
The IUPAC name of 1-cyclopropyl-2-[3-[(2-fluorophenyl)sulfanylmethyl]-1,2,4-oxadiazol-5-yl]ethanone (CID 66084832) is 1-cyclopropyl-2-[3-[(2-fluorophenyl)sulfanylmethyl]-1,2,4-oxadiazol-5-yl]ethanone.
What is the SMILES notation for 1-cyclopropyl-2-[3-[(2-fluorophenyl)sulfanylmethyl]-1,2,4-oxadiazol-5-yl]ethanone?
The canonical SMILES for 1-cyclopropyl-2-[3-[(2-fluorophenyl)sulfanylmethyl]-1,2,4-oxadiazol-5-yl]ethanone is O=C(Cc1nc(CSc2ccccc2F)no1)C1CC1.
What is the InChIKey of 1-cyclopropyl-2-[3-[(2-fluorophenyl)sulfanylmethyl]-1,2,4-oxadiazol-5-yl]ethanone?
The InChIKey is QWNRCEYQXUHJKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13FN2O2S/c15-10-3-1-2-4-12(10)20-8-13-16-14(19-17-13)7-11(18)9-5-6-9/h1-4,9H,5-8H2.
What are the key properties of 1-cyclopropyl-2-[3-[(2-fluorophenyl)sulfanylmethyl]-1,2,4-oxadiazol-5-yl]ethanone?
1-cyclopropyl-2-[3-[(2-fluorophenyl)sulfanylmethyl]-1,2,4-oxadiazol-5-yl]ethanone has a molecular weight of 292.33 g/mol, XLogP of 3.02, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-2-[3-[(2-fluorophenyl)sulfanylmethyl]-1,2,4-oxadiazol-5-yl]ethanone is sourced from PubChem (CID 66084832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).