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

C13H14N2O4S — CID 97437627

IUPAC5-(4-methylsulfonylphenyl)-3-[(3R)-oxolan-3-yl]-1,2,4-oxadiazole
SMILESCS(=O)(=O)c1ccc(-c2nc([C@H]3CCOC3)no2)cc1
InChIInChI=1S/C13H14N2O4S/c1-20(16,17)11-4-2-9(3-5-11)13-14-12(15-19-13)10-6-7-18-8-10/h2-5,10H,6-8H2,1H3/t10-/m0/s1
InChIKeyMCJFLIIXOBYSPH-JTQLQIEISA-N
MW294.33 g/mol
LogP1.64
Rot. Bonds3

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

5-(4-methylsulfonylphenyl)-3-[(3R)-oxolan-3-yl]-1,2,4-oxadiazole (PubChem CID 97437627) has the molecular formula C13H14N2O4S and a molecular weight of 294.33 g/mol. Its IUPAC name is 5-(4-methylsulfonylphenyl)-3-[(3R)-oxolan-3-yl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-(4-methylsulfonylphenyl)-3-[(3R)-oxolan-3-yl]-1,2,4-oxadiazole
PubChem CID97437627
Molecular FormulaC13H14N2O4S
Molecular Weight294.33 g/mol
Exact Mass294.07
IUPAC Name5-(4-methylsulfonylphenyl)-3-[(3R)-oxolan-3-yl]-1,2,4-oxadiazole
SMILESCS(=O)(=O)c1ccc(-c2nc([C@H]3CCOC3)no2)cc1
InChIInChI=1S/C13H14N2O4S/c1-20(16,17)11-4-2-9(3-5-11)13-14-12(15-19-13)10-6-7-18-8-10/h2-5,10H,6-8H2,1H3/t10-/m0/s1
InChIKeyMCJFLIIXOBYSPH-JTQLQIEISA-N
XLogP1.64
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 ≤ 51.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

4-[3-[(3S)-oxolan-3-yl]-1,2,4-oxadiazol-5-yl]-N-propylbenzenesulfonamide
CID 97443354
5-(4-ethylphenyl)-3-[(3R)-oxolan-3-yl]-1,2,4-oxadiazole
CID 97443285
5-(4-ethoxyphenyl)-3-(oxolan-3-yl)-1,2,4-oxadiazole
CID 72925037
5-[1-(4-methylsulfonylphenyl)cyclohexyl]-3-(oxolan-3-yl)-1,2,4-oxadiazole
CID 72912928
3-[(3R)-oxolan-3-yl]-5-(4-pyrrolidin-1-ylphenyl)-1,2,4-oxadiazole
CID 97455442
5-(4-methylsulfonylphenyl)-3-(2,2,3,3-tetramethylcyclopropyl)-1,2,4-oxadiazole
CID 154779717
5-(furan-3-yl)-3-[(3R)-oxolan-3-yl]-1,2,4-oxadiazole
CID 97018511
5-[3-(oxolan-3-yl)-1,2,4-oxadiazol-5-yl]pyridin-2-amine
CID 65329882
3-[(3R)-oxolan-3-yl]-5-quinoxalin-6-yl-1,2,4-oxadiazole
CID 97436994
2-bromo-5-[3-(oxolan-3-yl)-1,2,4-oxadiazol-5-yl]aniline
CID 107813760
N,N-dimethyl-3-[3-[(3S)-oxolan-3-yl]-1,2,4-oxadiazol-5-yl]aniline
CID 97433611
2-methoxy-5-[3-[(3R)-oxolan-3-yl]-1,2,4-oxadiazol-5-yl]phenol
CID 97160932

Frequently Asked Questions

What is the IUPAC name of 5-(4-methylsulfonylphenyl)-3-[(3R)-oxolan-3-yl]-1,2,4-oxadiazole?
The IUPAC name of 5-(4-methylsulfonylphenyl)-3-[(3R)-oxolan-3-yl]-1,2,4-oxadiazole (CID 97437627) is 5-(4-methylsulfonylphenyl)-3-[(3R)-oxolan-3-yl]-1,2,4-oxadiazole.
What is the SMILES notation for 5-(4-methylsulfonylphenyl)-3-[(3R)-oxolan-3-yl]-1,2,4-oxadiazole?
The canonical SMILES for 5-(4-methylsulfonylphenyl)-3-[(3R)-oxolan-3-yl]-1,2,4-oxadiazole is CS(=O)(=O)c1ccc(-c2nc([C@H]3CCOC3)no2)cc1.
What is the InChIKey of 5-(4-methylsulfonylphenyl)-3-[(3R)-oxolan-3-yl]-1,2,4-oxadiazole?
The InChIKey is MCJFLIIXOBYSPH-JTQLQIEISA-N. The full InChI is InChI=1S/C13H14N2O4S/c1-20(16,17)11-4-2-9(3-5-11)13-14-12(15-19-13)10-6-7-18-8-10/h2-5,10H,6-8H2,1H3/t10-/m0/s1.
What are the key properties of 5-(4-methylsulfonylphenyl)-3-[(3R)-oxolan-3-yl]-1,2,4-oxadiazole?
5-(4-methylsulfonylphenyl)-3-[(3R)-oxolan-3-yl]-1,2,4-oxadiazole has a molecular weight of 294.33 g/mol, XLogP of 1.64, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-methylsulfonylphenyl)-3-[(3R)-oxolan-3-yl]-1,2,4-oxadiazole is sourced from PubChem (CID 97437627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).