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

C16H10F2N2O2S — CID 859824

IUPAC1-(2-fluorophenyl)-2-[[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]ethanone
SMILESO=C(CSc1nnc(-c2ccccc2F)o1)c1ccccc1F
InChIInChI=1S/C16H10F2N2O2S/c17-12-7-3-1-5-10(12)14(21)9-23-16-20-19-15(22-16)11-6-2-4-8-13(11)18/h1-8H,9H2
InChIKeyOUFCLNUTCVLSJK-UHFFFAOYSA-N
MW332.33 g/mol
LogP3.99
Rot. Bonds5

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

1-(2-fluorophenyl)-2-[[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]ethanone (PubChem CID 859824) has the molecular formula C16H10F2N2O2S and a molecular weight of 332.33 g/mol. Its IUPAC name is 1-(2-fluorophenyl)-2-[[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]ethanone.

Molecular Properties

Compound Name1-(2-fluorophenyl)-2-[[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]ethanone
PubChem CID859824
Molecular FormulaC16H10F2N2O2S
Molecular Weight332.33 g/mol
Exact Mass332.04
IUPAC Name1-(2-fluorophenyl)-2-[[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]ethanone
SMILESO=C(CSc1nnc(-c2ccccc2F)o1)c1ccccc1F
InChIInChI=1S/C16H10F2N2O2S/c17-12-7-3-1-5-10(12)14(21)9-23-16-20-19-15(22-16)11-6-2-4-8-13(11)18/h1-8H,9H2
InChIKeyOUFCLNUTCVLSJK-UHFFFAOYSA-N
XLogP3.99
TPSA55.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.33
LogP ≤ 53.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(2-fluorophenyl)-2-[[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]ethanone?
The IUPAC name of 1-(2-fluorophenyl)-2-[[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]ethanone (CID 859824) is 1-(2-fluorophenyl)-2-[[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]ethanone.
What is the SMILES notation for 1-(2-fluorophenyl)-2-[[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]ethanone?
The canonical SMILES for 1-(2-fluorophenyl)-2-[[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]ethanone is O=C(CSc1nnc(-c2ccccc2F)o1)c1ccccc1F.
What is the InChIKey of 1-(2-fluorophenyl)-2-[[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]ethanone?
The InChIKey is OUFCLNUTCVLSJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10F2N2O2S/c17-12-7-3-1-5-10(12)14(21)9-23-16-20-19-15(22-16)11-6-2-4-8-13(11)18/h1-8H,9H2.
What are the key properties of 1-(2-fluorophenyl)-2-[[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]ethanone?
1-(2-fluorophenyl)-2-[[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]ethanone has a molecular weight of 332.33 g/mol, XLogP of 3.99, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluorophenyl)-2-[[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]ethanone is sourced from PubChem (CID 859824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).