5-[[2-fluoro-3-(4-fluorophenoxy)propyl]sulfanylmethyl]-3H-1,3,4-oxadiazol-2-one

C12H12F2N2O3S — CID 170565186

IUPAC5-[[2-fluoro-3-(4-fluorophenoxy)propyl]sulfanylmethyl]-3H-1,3,4-oxadiazol-2-one
SMILESO=c1[nH]nc(CSCC(F)COc2ccc(F)cc2)o1
InChIInChI=1S/C12H12F2N2O3S/c13-8-1-3-10(4-2-8)18-5-9(14)6-20-7-11-15-16-12(17)19-11/h1-4,9H,5-7H2,(H,16,17)
InChIKeyGJEYAHVWVQMOSN-UHFFFAOYSA-N
MW302.30 g/mol
LogP2.15
Rot. Bonds7

About 5-[[2-fluoro-3-(4-fluorophenoxy)propyl]sulfanylmethyl]-3H-1,3,4-oxadiazol-2-one

5-[[2-fluoro-3-(4-fluorophenoxy)propyl]sulfanylmethyl]-3H-1,3,4-oxadiazol-2-one (PubChem CID 170565186) has the molecular formula C12H12F2N2O3S and a molecular weight of 302.30 g/mol. Its IUPAC name is 5-[[2-fluoro-3-(4-fluorophenoxy)propyl]sulfanylmethyl]-3H-1,3,4-oxadiazol-2-one.

Molecular Properties

Compound Name5-[[2-fluoro-3-(4-fluorophenoxy)propyl]sulfanylmethyl]-3H-1,3,4-oxadiazol-2-one
PubChem CID170565186
Molecular FormulaC12H12F2N2O3S
Molecular Weight302.30 g/mol
Exact Mass302.05
IUPAC Name5-[[2-fluoro-3-(4-fluorophenoxy)propyl]sulfanylmethyl]-3H-1,3,4-oxadiazol-2-one
SMILESO=c1[nH]nc(CSCC(F)COc2ccc(F)cc2)o1
InChIInChI=1S/C12H12F2N2O3S/c13-8-1-3-10(4-2-8)18-5-9(14)6-20-7-11-15-16-12(17)19-11/h1-4,9H,5-7H2,(H,16,17)
InChIKeyGJEYAHVWVQMOSN-UHFFFAOYSA-N
XLogP2.15
TPSA68.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.30
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[[2-fluoro-3-(4-fluorophenoxy)propyl]sulfanylmethyl]-3H-1,3,4-oxadiazol-2-one?
The IUPAC name of 5-[[2-fluoro-3-(4-fluorophenoxy)propyl]sulfanylmethyl]-3H-1,3,4-oxadiazol-2-one (CID 170565186) is 5-[[2-fluoro-3-(4-fluorophenoxy)propyl]sulfanylmethyl]-3H-1,3,4-oxadiazol-2-one.
What is the SMILES notation for 5-[[2-fluoro-3-(4-fluorophenoxy)propyl]sulfanylmethyl]-3H-1,3,4-oxadiazol-2-one?
The canonical SMILES for 5-[[2-fluoro-3-(4-fluorophenoxy)propyl]sulfanylmethyl]-3H-1,3,4-oxadiazol-2-one is O=c1[nH]nc(CSCC(F)COc2ccc(F)cc2)o1.
What is the InChIKey of 5-[[2-fluoro-3-(4-fluorophenoxy)propyl]sulfanylmethyl]-3H-1,3,4-oxadiazol-2-one?
The InChIKey is GJEYAHVWVQMOSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12F2N2O3S/c13-8-1-3-10(4-2-8)18-5-9(14)6-20-7-11-15-16-12(17)19-11/h1-4,9H,5-7H2,(H,16,17).
What are the key properties of 5-[[2-fluoro-3-(4-fluorophenoxy)propyl]sulfanylmethyl]-3H-1,3,4-oxadiazol-2-one?
5-[[2-fluoro-3-(4-fluorophenoxy)propyl]sulfanylmethyl]-3H-1,3,4-oxadiazol-2-one has a molecular weight of 302.30 g/mol, XLogP of 2.15, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[2-fluoro-3-(4-fluorophenoxy)propyl]sulfanylmethyl]-3H-1,3,4-oxadiazol-2-one is sourced from PubChem (CID 170565186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).