3-(4-fluorosulfonyloxyphenyl)-5-(oxolan-2-yl)-1,2,4-oxadiazole

C12H11FN2O5S — CID 154879901

IUPAC3-(4-fluorosulfonyloxyphenyl)-5-(oxolan-2-yl)-1,2,4-oxadiazole
SMILESO=S(=O)(F)Oc1ccc(-c2noc(C3CCCO3)n2)cc1
InChIInChI=1S/C12H11FN2O5S/c13-21(16,17)20-9-5-3-8(4-6-9)11-14-12(19-15-11)10-2-1-7-18-10/h3-6,10H,1-2,7H2
InChIKeyYOMDFAIYXGMYTG-UHFFFAOYSA-N
MW314.29 g/mol
LogP2.18
Rot. Bonds4

About 3-(4-fluorosulfonyloxyphenyl)-5-(oxolan-2-yl)-1,2,4-oxadiazole

3-(4-fluorosulfonyloxyphenyl)-5-(oxolan-2-yl)-1,2,4-oxadiazole (PubChem CID 154879901) has the molecular formula C12H11FN2O5S and a molecular weight of 314.29 g/mol. Its IUPAC name is 3-(4-fluorosulfonyloxyphenyl)-5-(oxolan-2-yl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-(4-fluorosulfonyloxyphenyl)-5-(oxolan-2-yl)-1,2,4-oxadiazole
PubChem CID154879901
Molecular FormulaC12H11FN2O5S
Molecular Weight314.29 g/mol
Exact Mass314.04
IUPAC Name3-(4-fluorosulfonyloxyphenyl)-5-(oxolan-2-yl)-1,2,4-oxadiazole
SMILESO=S(=O)(F)Oc1ccc(-c2noc(C3CCCO3)n2)cc1
InChIInChI=1S/C12H11FN2O5S/c13-21(16,17)20-9-5-3-8(4-6-9)11-14-12(19-15-11)10-2-1-7-18-10/h3-6,10H,1-2,7H2
InChIKeyYOMDFAIYXGMYTG-UHFFFAOYSA-N
XLogP2.18
TPSA91.52 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.29
LogP ≤ 52.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

3-(4-methylsulfonylphenyl)-5-[(2R)-oxolan-2-yl]-1,2,4-oxadiazole
CID 124505405
3-[4-(oxiran-2-ylmethoxy)phenyl]-5-(oxolan-2-yl)-1,2,4-oxadiazole
CID 146098585
3-[4-(2-methoxyethoxy)phenyl]-5-[(2R)-oxolan-2-yl]-1,2,4-oxadiazole
CID 95314954
5-[(2R)-oxolan-2-yl]-3-pyridin-4-yl-1,2,4-oxadiazole
CID 95953302
methyl 4-[5-[(2R)-oxolan-2-yl]-1,2,4-oxadiazol-3-yl]benzoate
CID 129370564
N-cyclopropyl-N-methyl-2-[4-[5-(oxolan-2-yl)-1,2,4-oxadiazol-3-yl]phenoxy]acetamide
CID 56801279
5-(oxolan-2-yl)-3-thiophen-3-yl-1,2,4-oxadiazole
CID 45208254
[4-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)phenyl] N,N-dimethylsulfamate
CID 2742690
3-[4-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)oxy]phenyl]-5-(oxolan-2-yl)-1,2,4-oxadiazole
CID 133299444
3-[4-(6-ethyl-2-pyridin-4-ylpyrimidin-4-yl)oxyphenyl]-5-(oxolan-2-yl)-1,2,4-oxadiazole
CID 133294645
4-[4-[5-(oxolan-2-yl)-1,2,4-oxadiazol-3-yl]phenoxy]-[1]benzofuro[3,2-d]pyrimidine
CID 133299457
3-(3-nitrophenyl)-5-[(2R)-oxolan-2-yl]-1,2,4-oxadiazole
CID 99964177

Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorosulfonyloxyphenyl)-5-(oxolan-2-yl)-1,2,4-oxadiazole?
The IUPAC name of 3-(4-fluorosulfonyloxyphenyl)-5-(oxolan-2-yl)-1,2,4-oxadiazole (CID 154879901) is 3-(4-fluorosulfonyloxyphenyl)-5-(oxolan-2-yl)-1,2,4-oxadiazole.
What is the SMILES notation for 3-(4-fluorosulfonyloxyphenyl)-5-(oxolan-2-yl)-1,2,4-oxadiazole?
The canonical SMILES for 3-(4-fluorosulfonyloxyphenyl)-5-(oxolan-2-yl)-1,2,4-oxadiazole is O=S(=O)(F)Oc1ccc(-c2noc(C3CCCO3)n2)cc1.
What is the InChIKey of 3-(4-fluorosulfonyloxyphenyl)-5-(oxolan-2-yl)-1,2,4-oxadiazole?
The InChIKey is YOMDFAIYXGMYTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11FN2O5S/c13-21(16,17)20-9-5-3-8(4-6-9)11-14-12(19-15-11)10-2-1-7-18-10/h3-6,10H,1-2,7H2.
What are the key properties of 3-(4-fluorosulfonyloxyphenyl)-5-(oxolan-2-yl)-1,2,4-oxadiazole?
3-(4-fluorosulfonyloxyphenyl)-5-(oxolan-2-yl)-1,2,4-oxadiazole has a molecular weight of 314.29 g/mol, XLogP of 2.18, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorosulfonyloxyphenyl)-5-(oxolan-2-yl)-1,2,4-oxadiazole is sourced from PubChem (CID 154879901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).