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

C17H12F2N2O2S — CID 2540259

IUPAC2-[(5-benzyl-1,3,4-oxadiazol-2-yl)sulfanyl]-1-(2,5-difluorophenyl)ethanone
SMILESO=C(CSc1nnc(Cc2ccccc2)o1)c1cc(F)ccc1F
InChIInChI=1S/C17H12F2N2O2S/c18-12-6-7-14(19)13(9-12)15(22)10-24-17-21-20-16(23-17)8-11-4-2-1-3-5-11/h1-7,9H,8,10H2
InChIKeyRQSOPJFSWKINBY-UHFFFAOYSA-N
MW346.36 g/mol
LogP3.91
Rot. Bonds6

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

2-[(5-benzyl-1,3,4-oxadiazol-2-yl)sulfanyl]-1-(2,5-difluorophenyl)ethanone (PubChem CID 2540259) has the molecular formula C17H12F2N2O2S and a molecular weight of 346.36 g/mol. Its IUPAC name is 2-[(5-benzyl-1,3,4-oxadiazol-2-yl)sulfanyl]-1-(2,5-difluorophenyl)ethanone.

Molecular Properties

Compound Name2-[(5-benzyl-1,3,4-oxadiazol-2-yl)sulfanyl]-1-(2,5-difluorophenyl)ethanone
PubChem CID2540259
Molecular FormulaC17H12F2N2O2S
Molecular Weight346.36 g/mol
Exact Mass346.06
IUPAC Name2-[(5-benzyl-1,3,4-oxadiazol-2-yl)sulfanyl]-1-(2,5-difluorophenyl)ethanone
SMILESO=C(CSc1nnc(Cc2ccccc2)o1)c1cc(F)ccc1F
InChIInChI=1S/C17H12F2N2O2S/c18-12-6-7-14(19)13(9-12)15(22)10-24-17-21-20-16(23-17)8-11-4-2-1-3-5-11/h1-7,9H,8,10H2
InChIKeyRQSOPJFSWKINBY-UHFFFAOYSA-N
XLogP3.91
TPSA55.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.36
LogP ≤ 53.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(5-benzyl-1,3,4-oxadiazol-2-yl)sulfanyl]-1-(2,5-difluorophenyl)ethanone?
The IUPAC name of 2-[(5-benzyl-1,3,4-oxadiazol-2-yl)sulfanyl]-1-(2,5-difluorophenyl)ethanone (CID 2540259) is 2-[(5-benzyl-1,3,4-oxadiazol-2-yl)sulfanyl]-1-(2,5-difluorophenyl)ethanone.
What is the SMILES notation for 2-[(5-benzyl-1,3,4-oxadiazol-2-yl)sulfanyl]-1-(2,5-difluorophenyl)ethanone?
The canonical SMILES for 2-[(5-benzyl-1,3,4-oxadiazol-2-yl)sulfanyl]-1-(2,5-difluorophenyl)ethanone is O=C(CSc1nnc(Cc2ccccc2)o1)c1cc(F)ccc1F.
What is the InChIKey of 2-[(5-benzyl-1,3,4-oxadiazol-2-yl)sulfanyl]-1-(2,5-difluorophenyl)ethanone?
The InChIKey is RQSOPJFSWKINBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12F2N2O2S/c18-12-6-7-14(19)13(9-12)15(22)10-24-17-21-20-16(23-17)8-11-4-2-1-3-5-11/h1-7,9H,8,10H2.
What are the key properties of 2-[(5-benzyl-1,3,4-oxadiazol-2-yl)sulfanyl]-1-(2,5-difluorophenyl)ethanone?
2-[(5-benzyl-1,3,4-oxadiazol-2-yl)sulfanyl]-1-(2,5-difluorophenyl)ethanone has a molecular weight of 346.36 g/mol, XLogP of 3.91, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-benzyl-1,3,4-oxadiazol-2-yl)sulfanyl]-1-(2,5-difluorophenyl)ethanone is sourced from PubChem (CID 2540259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).