3-(4-methylsulfonylphenyl)-5-[(2R)-oxolan-2-yl]-1,2,4-oxadiazole

C13H14N2O4S — CID 124505405

IUPAC3-(4-methylsulfonylphenyl)-5-[(2R)-oxolan-2-yl]-1,2,4-oxadiazole
SMILESCS(=O)(=O)c1ccc(-c2noc([C@H]3CCCO3)n2)cc1
InChIInChI=1S/C13H14N2O4S/c1-20(16,17)10-6-4-9(5-7-10)12-14-13(19-15-12)11-3-2-8-18-11/h4-7,11H,2-3,8H2,1H3/t11-/m1/s1
InChIKeyZORKEFSHILEFNA-LLVKDONJSA-N
MW294.33 g/mol
LogP1.99
Rot. Bonds3

About 3-(4-methylsulfonylphenyl)-5-[(2R)-oxolan-2-yl]-1,2,4-oxadiazole

3-(4-methylsulfonylphenyl)-5-[(2R)-oxolan-2-yl]-1,2,4-oxadiazole (PubChem CID 124505405) has the molecular formula C13H14N2O4S and a molecular weight of 294.33 g/mol. Its IUPAC name is 3-(4-methylsulfonylphenyl)-5-[(2R)-oxolan-2-yl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-(4-methylsulfonylphenyl)-5-[(2R)-oxolan-2-yl]-1,2,4-oxadiazole
PubChem CID124505405
Molecular FormulaC13H14N2O4S
Molecular Weight294.33 g/mol
Exact Mass294.07
IUPAC Name3-(4-methylsulfonylphenyl)-5-[(2R)-oxolan-2-yl]-1,2,4-oxadiazole
SMILESCS(=O)(=O)c1ccc(-c2noc([C@H]3CCCO3)n2)cc1
InChIInChI=1S/C13H14N2O4S/c1-20(16,17)10-6-4-9(5-7-10)12-14-13(19-15-12)11-3-2-8-18-11/h4-7,11H,2-3,8H2,1H3/t11-/m1/s1
InChIKeyZORKEFSHILEFNA-LLVKDONJSA-N
XLogP1.99
TPSA82.29 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.33
LogP ≤ 51.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

3-(4-fluorosulfonyloxyphenyl)-5-(oxolan-2-yl)-1,2,4-oxadiazole
CID 154879901
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
3-(4-methylsulfonylphenyl)-5-[(3R)-pyrrolidin-3-yl]-1,2,4-oxadiazole
CID 120841276
3-[3-(4-methylsulfonylphenyl)-1,2,4-oxadiazol-5-yl]bicyclo[3.3.1]nonan-9-amine
CID 128744634
(3S)-4-cyclopentyl-3-[3-(4-methylsulfonylphenyl)-1,2,4-oxadiazol-5-yl]morpholine
CID 100660221
3-[4-(2-methoxyethoxy)phenyl]-5-[(2R)-oxolan-2-yl]-1,2,4-oxadiazole
CID 95314954
5-(oxolan-2-yl)-3-thiophen-3-yl-1,2,4-oxadiazole
CID 45208254
3-[4-(oxiran-2-ylmethoxy)phenyl]-5-(oxolan-2-yl)-1,2,4-oxadiazole
CID 146098585
3-(3-nitrophenyl)-5-[(2R)-oxolan-2-yl]-1,2,4-oxadiazole
CID 99964177
N-cyclopropyl-N-methyl-2-[4-[5-(oxolan-2-yl)-1,2,4-oxadiazol-3-yl]phenoxy]acetamide
CID 56801279
1,3-dimethyl-6-[5-(oxolan-2-yl)-1,2,4-oxadiazol-3-yl]quinoxalin-2-one
CID 53065136

Frequently Asked Questions

What is the IUPAC name of 3-(4-methylsulfonylphenyl)-5-[(2R)-oxolan-2-yl]-1,2,4-oxadiazole?
The IUPAC name of 3-(4-methylsulfonylphenyl)-5-[(2R)-oxolan-2-yl]-1,2,4-oxadiazole (CID 124505405) is 3-(4-methylsulfonylphenyl)-5-[(2R)-oxolan-2-yl]-1,2,4-oxadiazole.
What is the SMILES notation for 3-(4-methylsulfonylphenyl)-5-[(2R)-oxolan-2-yl]-1,2,4-oxadiazole?
The canonical SMILES for 3-(4-methylsulfonylphenyl)-5-[(2R)-oxolan-2-yl]-1,2,4-oxadiazole is CS(=O)(=O)c1ccc(-c2noc([C@H]3CCCO3)n2)cc1.
What is the InChIKey of 3-(4-methylsulfonylphenyl)-5-[(2R)-oxolan-2-yl]-1,2,4-oxadiazole?
The InChIKey is ZORKEFSHILEFNA-LLVKDONJSA-N. The full InChI is InChI=1S/C13H14N2O4S/c1-20(16,17)10-6-4-9(5-7-10)12-14-13(19-15-12)11-3-2-8-18-11/h4-7,11H,2-3,8H2,1H3/t11-/m1/s1.
What are the key properties of 3-(4-methylsulfonylphenyl)-5-[(2R)-oxolan-2-yl]-1,2,4-oxadiazole?
3-(4-methylsulfonylphenyl)-5-[(2R)-oxolan-2-yl]-1,2,4-oxadiazole has a molecular weight of 294.33 g/mol, XLogP of 1.99, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methylsulfonylphenyl)-5-[(2R)-oxolan-2-yl]-1,2,4-oxadiazole is sourced from PubChem (CID 124505405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).