5-cyclohexyl-3-[(3-methylphenyl)sulfonylmethyl]-1,2,4-oxadiazole

C16H20N2O3S — CID 146130161

IUPAC5-cyclohexyl-3-[(3-methylphenyl)sulfonylmethyl]-1,2,4-oxadiazole
SMILESCc1cccc(S(=O)(=O)Cc2noc(C3CCCCC3)n2)c1
InChIInChI=1S/C16H20N2O3S/c1-12-6-5-9-14(10-12)22(19,20)11-15-17-16(21-18-15)13-7-3-2-4-8-13/h5-6,9-10,13H,2-4,7-8,11H2,1H3
InChIKeyASDUCABNVSFVTH-UHFFFAOYSA-N
MW320.41 g/mol
LogP3.40
Rot. Bonds4

About 5-cyclohexyl-3-[(3-methylphenyl)sulfonylmethyl]-1,2,4-oxadiazole

5-cyclohexyl-3-[(3-methylphenyl)sulfonylmethyl]-1,2,4-oxadiazole (PubChem CID 146130161) has the molecular formula C16H20N2O3S and a molecular weight of 320.41 g/mol. Its IUPAC name is 5-cyclohexyl-3-[(3-methylphenyl)sulfonylmethyl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-cyclohexyl-3-[(3-methylphenyl)sulfonylmethyl]-1,2,4-oxadiazole
PubChem CID146130161
Molecular FormulaC16H20N2O3S
Molecular Weight320.41 g/mol
Exact Mass320.12
IUPAC Name5-cyclohexyl-3-[(3-methylphenyl)sulfonylmethyl]-1,2,4-oxadiazole
SMILESCc1cccc(S(=O)(=O)Cc2noc(C3CCCCC3)n2)c1
InChIInChI=1S/C16H20N2O3S/c1-12-6-5-9-14(10-12)22(19,20)11-15-17-16(21-18-15)13-7-3-2-4-8-13/h5-6,9-10,13H,2-4,7-8,11H2,1H3
InChIKeyASDUCABNVSFVTH-UHFFFAOYSA-N
XLogP3.40
TPSA73.06 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.41
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-cyclohexyl-3-[(3-methylphenyl)sulfonylmethyl]-1,2,4-oxadiazole?
The IUPAC name of 5-cyclohexyl-3-[(3-methylphenyl)sulfonylmethyl]-1,2,4-oxadiazole (CID 146130161) is 5-cyclohexyl-3-[(3-methylphenyl)sulfonylmethyl]-1,2,4-oxadiazole.
What is the SMILES notation for 5-cyclohexyl-3-[(3-methylphenyl)sulfonylmethyl]-1,2,4-oxadiazole?
The canonical SMILES for 5-cyclohexyl-3-[(3-methylphenyl)sulfonylmethyl]-1,2,4-oxadiazole is Cc1cccc(S(=O)(=O)Cc2noc(C3CCCCC3)n2)c1.
What is the InChIKey of 5-cyclohexyl-3-[(3-methylphenyl)sulfonylmethyl]-1,2,4-oxadiazole?
The InChIKey is ASDUCABNVSFVTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O3S/c1-12-6-5-9-14(10-12)22(19,20)11-15-17-16(21-18-15)13-7-3-2-4-8-13/h5-6,9-10,13H,2-4,7-8,11H2,1H3.
What are the key properties of 5-cyclohexyl-3-[(3-methylphenyl)sulfonylmethyl]-1,2,4-oxadiazole?
5-cyclohexyl-3-[(3-methylphenyl)sulfonylmethyl]-1,2,4-oxadiazole has a molecular weight of 320.41 g/mol, XLogP of 3.40, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclohexyl-3-[(3-methylphenyl)sulfonylmethyl]-1,2,4-oxadiazole is sourced from PubChem (CID 146130161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).