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

C16H11FN2O2S — CID 859801

IUPAC2-[[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-1-phenylethanone
SMILESO=C(CSc1nnc(-c2ccccc2F)o1)c1ccccc1
InChIInChI=1S/C16H11FN2O2S/c17-13-9-5-4-8-12(13)15-18-19-16(21-15)22-10-14(20)11-6-2-1-3-7-11/h1-9H,10H2
InChIKeyDBXADZMAHKVGLB-UHFFFAOYSA-N
MW314.34 g/mol
LogP3.85
Rot. Bonds5

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

2-[[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-1-phenylethanone (PubChem CID 859801) has the molecular formula C16H11FN2O2S and a molecular weight of 314.34 g/mol. Its IUPAC name is 2-[[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-1-phenylethanone.

Molecular Properties

Compound Name2-[[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-1-phenylethanone
PubChem CID859801
Molecular FormulaC16H11FN2O2S
Molecular Weight314.34 g/mol
Exact Mass314.05
IUPAC Name2-[[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-1-phenylethanone
SMILESO=C(CSc1nnc(-c2ccccc2F)o1)c1ccccc1
InChIInChI=1S/C16H11FN2O2S/c17-13-9-5-4-8-12(13)15-18-19-16(21-15)22-10-14(20)11-6-2-1-3-7-11/h1-9H,10H2
InChIKeyDBXADZMAHKVGLB-UHFFFAOYSA-N
XLogP3.85
TPSA55.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.34
LogP ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-1-phenylethanone?
The IUPAC name of 2-[[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-1-phenylethanone (CID 859801) is 2-[[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-1-phenylethanone.
What is the SMILES notation for 2-[[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-1-phenylethanone?
The canonical SMILES for 2-[[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-1-phenylethanone is O=C(CSc1nnc(-c2ccccc2F)o1)c1ccccc1.
What is the InChIKey of 2-[[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-1-phenylethanone?
The InChIKey is DBXADZMAHKVGLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11FN2O2S/c17-13-9-5-4-8-12(13)15-18-19-16(21-15)22-10-14(20)11-6-2-1-3-7-11/h1-9H,10H2.
What are the key properties of 2-[[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-1-phenylethanone?
2-[[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-1-phenylethanone has a molecular weight of 314.34 g/mol, XLogP of 3.85, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-1-phenylethanone is sourced from PubChem (CID 859801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).