5-(2-cyclopropylsulfonylpropan-2-yl)-3-(1H-imidazol-2-yl)-1,2,4-oxadiazole

C11H14N4O3S — CID 137181615

IUPAC5-(2-cyclopropylsulfonylpropan-2-yl)-3-(1H-imidazol-2-yl)-1,2,4-oxadiazole
SMILESCC(C)(c1nc(-c2ncc[nH]2)no1)S(=O)(=O)C1CC1
InChIInChI=1S/C11H14N4O3S/c1-11(2,19(16,17)7-3-4-7)10-14-9(15-18-10)8-12-5-6-13-8/h5-7H,3-4H2,1-2H3,(H,12,13)
InChIKeyQIRSKYSDQYVAQG-UHFFFAOYSA-N
MW282.32 g/mol
LogP1.27
Rot. Bonds4

About 5-(2-cyclopropylsulfonylpropan-2-yl)-3-(1H-imidazol-2-yl)-1,2,4-oxadiazole

5-(2-cyclopropylsulfonylpropan-2-yl)-3-(1H-imidazol-2-yl)-1,2,4-oxadiazole (PubChem CID 137181615) has the molecular formula C11H14N4O3S and a molecular weight of 282.32 g/mol. Its IUPAC name is 5-(2-cyclopropylsulfonylpropan-2-yl)-3-(1H-imidazol-2-yl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-(2-cyclopropylsulfonylpropan-2-yl)-3-(1H-imidazol-2-yl)-1,2,4-oxadiazole
PubChem CID137181615
Molecular FormulaC11H14N4O3S
Molecular Weight282.32 g/mol
Exact Mass282.08
IUPAC Name5-(2-cyclopropylsulfonylpropan-2-yl)-3-(1H-imidazol-2-yl)-1,2,4-oxadiazole
SMILESCC(C)(c1nc(-c2ncc[nH]2)no1)S(=O)(=O)C1CC1
InChIInChI=1S/C11H14N4O3S/c1-11(2,19(16,17)7-3-4-7)10-14-9(15-18-10)8-12-5-6-13-8/h5-7H,3-4H2,1-2H3,(H,12,13)
InChIKeyQIRSKYSDQYVAQG-UHFFFAOYSA-N
XLogP1.27
TPSA101.74 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.32
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-(2-cyclopropylsulfonylpropan-2-yl)-3-(1H-imidazol-2-yl)-1,2,4-oxadiazole?
The IUPAC name of 5-(2-cyclopropylsulfonylpropan-2-yl)-3-(1H-imidazol-2-yl)-1,2,4-oxadiazole (CID 137181615) is 5-(2-cyclopropylsulfonylpropan-2-yl)-3-(1H-imidazol-2-yl)-1,2,4-oxadiazole.
What is the SMILES notation for 5-(2-cyclopropylsulfonylpropan-2-yl)-3-(1H-imidazol-2-yl)-1,2,4-oxadiazole?
The canonical SMILES for 5-(2-cyclopropylsulfonylpropan-2-yl)-3-(1H-imidazol-2-yl)-1,2,4-oxadiazole is CC(C)(c1nc(-c2ncc[nH]2)no1)S(=O)(=O)C1CC1.
What is the InChIKey of 5-(2-cyclopropylsulfonylpropan-2-yl)-3-(1H-imidazol-2-yl)-1,2,4-oxadiazole?
The InChIKey is QIRSKYSDQYVAQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4O3S/c1-11(2,19(16,17)7-3-4-7)10-14-9(15-18-10)8-12-5-6-13-8/h5-7H,3-4H2,1-2H3,(H,12,13).
What are the key properties of 5-(2-cyclopropylsulfonylpropan-2-yl)-3-(1H-imidazol-2-yl)-1,2,4-oxadiazole?
5-(2-cyclopropylsulfonylpropan-2-yl)-3-(1H-imidazol-2-yl)-1,2,4-oxadiazole has a molecular weight of 282.32 g/mol, XLogP of 1.27, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-cyclopropylsulfonylpropan-2-yl)-3-(1H-imidazol-2-yl)-1,2,4-oxadiazole is sourced from PubChem (CID 137181615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).