5-cyclopropyl-3-(methylsulfonylmethyl)-1,2,4-oxadiazole

C7H10N2O3S — CID 47395992

IUPAC5-cyclopropyl-3-(methylsulfonylmethyl)-1,2,4-oxadiazole
SMILESCS(=O)(=O)Cc1noc(C2CC2)n1
InChIInChI=1S/C7H10N2O3S/c1-13(10,11)4-6-8-7(12-9-6)5-2-3-5/h5H,2-4H2,1H3
InChIKeyCQPRSNIWJQJCSM-UHFFFAOYSA-N
MW202.23 g/mol
LogP0.49
Rot. Bonds3

About 5-cyclopropyl-3-(methylsulfonylmethyl)-1,2,4-oxadiazole

5-cyclopropyl-3-(methylsulfonylmethyl)-1,2,4-oxadiazole (PubChem CID 47395992) has the molecular formula C7H10N2O3S and a molecular weight of 202.23 g/mol. Its IUPAC name is 5-cyclopropyl-3-(methylsulfonylmethyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-cyclopropyl-3-(methylsulfonylmethyl)-1,2,4-oxadiazole
PubChem CID47395992
Molecular FormulaC7H10N2O3S
Molecular Weight202.23 g/mol
Exact Mass202.04
IUPAC Name5-cyclopropyl-3-(methylsulfonylmethyl)-1,2,4-oxadiazole
SMILESCS(=O)(=O)Cc1noc(C2CC2)n1
InChIInChI=1S/C7H10N2O3S/c1-13(10,11)4-6-8-7(12-9-6)5-2-3-5/h5H,2-4H2,1H3
InChIKeyCQPRSNIWJQJCSM-UHFFFAOYSA-N
XLogP0.49
TPSA73.06 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.23
LogP ≤ 50.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-ethyl-4-[3-(methylsulfonylmethyl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-amine
CID 55202619
2-[3-(methylsulfonylmethyl)-1,2,4-oxadiazol-5-yl]cyclopentan-1-amine
CID 63352505
2-[3-(methylsulfonylmethyl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-ol
CID 63349124
N-methyl-2-[3-(methylsulfonylmethyl)-1,2,4-oxadiazol-5-yl]cycloheptan-1-amine
CID 63351977
4-[3-(methylsulfonylmethyl)-1,2,4-oxadiazol-5-yl]oxolan-3-amine
CID 66238890
2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-N-(dimethylsulfamoyl)-N-methylethanamine
CID 136531431
5-cyclopropyl-3-(cyclopropylmethyl)-1,2,4-oxadiazole
CID 130718798
2,2-dimethyl-3-[3-(methylsulfonylmethyl)-1,2,4-oxadiazol-5-yl]cyclopropane-1-carboxylic acid
CID 64836910
3-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-5-methyl-1,2,4-oxadiazole
CID 167874709
1-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-N-methyl-N-pyridin-2-ylmethanesulfonamide
CID 146149333
3-[[(E)-3-chloro-2-methylprop-2-enyl]sulfonylmethyl]-5-cyclobutyl-1,2,4-oxadiazole
CID 146140847
5-cyclopropyl-3-[[methyl(propan-2-ylsulfamoyl)amino]methyl]-1,2,4-oxadiazole
CID 136548145

Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-3-(methylsulfonylmethyl)-1,2,4-oxadiazole?
The IUPAC name of 5-cyclopropyl-3-(methylsulfonylmethyl)-1,2,4-oxadiazole (CID 47395992) is 5-cyclopropyl-3-(methylsulfonylmethyl)-1,2,4-oxadiazole.
What is the SMILES notation for 5-cyclopropyl-3-(methylsulfonylmethyl)-1,2,4-oxadiazole?
The canonical SMILES for 5-cyclopropyl-3-(methylsulfonylmethyl)-1,2,4-oxadiazole is CS(=O)(=O)Cc1noc(C2CC2)n1.
What is the InChIKey of 5-cyclopropyl-3-(methylsulfonylmethyl)-1,2,4-oxadiazole?
The InChIKey is CQPRSNIWJQJCSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2O3S/c1-13(10,11)4-6-8-7(12-9-6)5-2-3-5/h5H,2-4H2,1H3.
What are the key properties of 5-cyclopropyl-3-(methylsulfonylmethyl)-1,2,4-oxadiazole?
5-cyclopropyl-3-(methylsulfonylmethyl)-1,2,4-oxadiazole has a molecular weight of 202.23 g/mol, XLogP of 0.49, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-3-(methylsulfonylmethyl)-1,2,4-oxadiazole is sourced from PubChem (CID 47395992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).