(3R)-3-[[5-[(2-fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]oxolan-2-one

C13H11FN2O3S — CID 95228208

IUPAC(3R)-3-[[5-[(2-fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]oxolan-2-one
SMILESO=C1OCC[C@H]1Sc1nnc(Cc2ccccc2F)o1
InChIInChI=1S/C13H11FN2O3S/c14-9-4-2-1-3-8(9)7-11-15-16-13(19-11)20-10-5-6-18-12(10)17/h1-4,10H,5-7H2/t10-/m1/s1
InChIKeyKHOXFKACHNJAGG-SNVBAGLBSA-N
MW294.31 g/mol
LogP2.21
Rot. Bonds4

About (3R)-3-[[5-[(2-fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]oxolan-2-one

(3R)-3-[[5-[(2-fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]oxolan-2-one (PubChem CID 95228208) has the molecular formula C13H11FN2O3S and a molecular weight of 294.31 g/mol. Its IUPAC name is (3R)-3-[[5-[(2-fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]oxolan-2-one.

Molecular Properties

Compound Name(3R)-3-[[5-[(2-fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]oxolan-2-one
PubChem CID95228208
Molecular FormulaC13H11FN2O3S
Molecular Weight294.31 g/mol
Exact Mass294.05
IUPAC Name(3R)-3-[[5-[(2-fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]oxolan-2-one
SMILESO=C1OCC[C@H]1Sc1nnc(Cc2ccccc2F)o1
InChIInChI=1S/C13H11FN2O3S/c14-9-4-2-1-3-8(9)7-11-15-16-13(19-11)20-10-5-6-18-12(10)17/h1-4,10H,5-7H2/t10-/m1/s1
InChIKeyKHOXFKACHNJAGG-SNVBAGLBSA-N
XLogP2.21
TPSA65.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.31
LogP ≤ 52.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (3R)-3-[[5-[(2-fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]oxolan-2-one?
The IUPAC name of (3R)-3-[[5-[(2-fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]oxolan-2-one (CID 95228208) is (3R)-3-[[5-[(2-fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]oxolan-2-one.
What is the SMILES notation for (3R)-3-[[5-[(2-fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]oxolan-2-one?
The canonical SMILES for (3R)-3-[[5-[(2-fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]oxolan-2-one is O=C1OCC[C@H]1Sc1nnc(Cc2ccccc2F)o1.
What is the InChIKey of (3R)-3-[[5-[(2-fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]oxolan-2-one?
The InChIKey is KHOXFKACHNJAGG-SNVBAGLBSA-N. The full InChI is InChI=1S/C13H11FN2O3S/c14-9-4-2-1-3-8(9)7-11-15-16-13(19-11)20-10-5-6-18-12(10)17/h1-4,10H,5-7H2/t10-/m1/s1.
What are the key properties of (3R)-3-[[5-[(2-fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]oxolan-2-one?
(3R)-3-[[5-[(2-fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]oxolan-2-one has a molecular weight of 294.31 g/mol, XLogP of 2.21, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-[[5-[(2-fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]oxolan-2-one is sourced from PubChem (CID 95228208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).