3-[[(E)-3-chloro-2-methylprop-2-enyl]sulfonylmethyl]-5-cyclobutyl-1,2,4-oxadiazole

C11H15ClN2O3S — CID 146140847

IUPAC3-[[(E)-3-chloro-2-methylprop-2-enyl]sulfonylmethyl]-5-cyclobutyl-1,2,4-oxadiazole
SMILESC/C(=C\Cl)CS(=O)(=O)Cc1noc(C2CCC2)n1
InChIInChI=1S/C11H15ClN2O3S/c1-8(5-12)6-18(15,16)7-10-13-11(17-14-10)9-3-2-4-9/h5,9H,2-4,6-7H2,1H3/b8-5+
InChIKeyJXQAVONDJPVMNJ-VMPITWQZSA-N
MW290.77 g/mol
LogP2.39
Rot. Bonds5

About 3-[[(E)-3-chloro-2-methylprop-2-enyl]sulfonylmethyl]-5-cyclobutyl-1,2,4-oxadiazole

3-[[(E)-3-chloro-2-methylprop-2-enyl]sulfonylmethyl]-5-cyclobutyl-1,2,4-oxadiazole (PubChem CID 146140847) has the molecular formula C11H15ClN2O3S and a molecular weight of 290.77 g/mol. Its IUPAC name is 3-[[(E)-3-chloro-2-methylprop-2-enyl]sulfonylmethyl]-5-cyclobutyl-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-[[(E)-3-chloro-2-methylprop-2-enyl]sulfonylmethyl]-5-cyclobutyl-1,2,4-oxadiazole
PubChem CID146140847
Molecular FormulaC11H15ClN2O3S
Molecular Weight290.77 g/mol
Exact Mass290.05
IUPAC Name3-[[(E)-3-chloro-2-methylprop-2-enyl]sulfonylmethyl]-5-cyclobutyl-1,2,4-oxadiazole
SMILESC/C(=C\Cl)CS(=O)(=O)Cc1noc(C2CCC2)n1
InChIInChI=1S/C11H15ClN2O3S/c1-8(5-12)6-18(15,16)7-10-13-11(17-14-10)9-3-2-4-9/h5,9H,2-4,6-7H2,1H3/b8-5+
InChIKeyJXQAVONDJPVMNJ-VMPITWQZSA-N
XLogP2.39
TPSA73.06 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.77
LogP ≤ 52.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(5-cyclohexyl-1,2,4-oxadiazol-3-yl)methylsulfonyl]-1-pyrrolidin-1-ylethanone
CID 127623329
5-cyclopropyl-3-(methylsulfonylmethyl)-1,2,4-oxadiazole
CID 47395992
3-(chloromethyl)-5-cyclohexyl-1,2,4-oxadiazole;N-methylformamide
CID 145398456
2-[3-(methylsulfonylmethyl)-1,2,4-oxadiazol-5-yl]cyclopentan-1-amine
CID 63352505
5-cyclohexyl-3-[(3-methylphenyl)sulfonylmethyl]-1,2,4-oxadiazole
CID 146130161
N-ethyl-4-[3-(methylsulfonylmethyl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-amine
CID 55202619
N-[(5-cyclohexyl-1,2,4-oxadiazol-3-yl)methyl]ethanamine
CID 62342162
2-(5-cycloheptyl-1,2,4-oxadiazol-3-yl)-N-methylacetamide
CID 71970446
2-[3-(methylsulfonylmethyl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-ol
CID 63349124
1-[5-(oxan-4-yl)-1,2,4-oxadiazol-3-yl]propan-2-one
CID 115077121
5-cyclohexyl-3-[(3,4-difluorophenyl)sulfonylmethyl]-1,2,4-oxadiazole
CID 146130162
N-[(5-cyclopentyl-1,2,4-oxadiazol-3-yl)methyl]propan-2-amine
CID 62343969

Frequently Asked Questions

What is the IUPAC name of 3-[[(E)-3-chloro-2-methylprop-2-enyl]sulfonylmethyl]-5-cyclobutyl-1,2,4-oxadiazole?
The IUPAC name of 3-[[(E)-3-chloro-2-methylprop-2-enyl]sulfonylmethyl]-5-cyclobutyl-1,2,4-oxadiazole (CID 146140847) is 3-[[(E)-3-chloro-2-methylprop-2-enyl]sulfonylmethyl]-5-cyclobutyl-1,2,4-oxadiazole.
What is the SMILES notation for 3-[[(E)-3-chloro-2-methylprop-2-enyl]sulfonylmethyl]-5-cyclobutyl-1,2,4-oxadiazole?
The canonical SMILES for 3-[[(E)-3-chloro-2-methylprop-2-enyl]sulfonylmethyl]-5-cyclobutyl-1,2,4-oxadiazole is C/C(=C\Cl)CS(=O)(=O)Cc1noc(C2CCC2)n1.
What is the InChIKey of 3-[[(E)-3-chloro-2-methylprop-2-enyl]sulfonylmethyl]-5-cyclobutyl-1,2,4-oxadiazole?
The InChIKey is JXQAVONDJPVMNJ-VMPITWQZSA-N. The full InChI is InChI=1S/C11H15ClN2O3S/c1-8(5-12)6-18(15,16)7-10-13-11(17-14-10)9-3-2-4-9/h5,9H,2-4,6-7H2,1H3/b8-5+.
What are the key properties of 3-[[(E)-3-chloro-2-methylprop-2-enyl]sulfonylmethyl]-5-cyclobutyl-1,2,4-oxadiazole?
3-[[(E)-3-chloro-2-methylprop-2-enyl]sulfonylmethyl]-5-cyclobutyl-1,2,4-oxadiazole has a molecular weight of 290.77 g/mol, XLogP of 2.39, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(E)-3-chloro-2-methylprop-2-enyl]sulfonylmethyl]-5-cyclobutyl-1,2,4-oxadiazole is sourced from PubChem (CID 146140847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).