6-cyclohexyl-3-[3-[[methyl(methylsulfonyl)amino]methyl]-1,2,4-oxadiazol-5-yl]hexanoic acid

C17H29N3O5S — CID 22733095

IUPAC6-cyclohexyl-3-[3-[[methyl(methylsulfonyl)amino]methyl]-1,2,4-oxadiazol-5-yl]hexanoic acid
SMILESCN(Cc1noc(C(CCCC2CCCCC2)CC(=O)O)n1)S(C)(=O)=O
InChIInChI=1S/C17H29N3O5S/c1-20(26(2,23)24)12-15-18-17(25-19-15)14(11-16(21)22)10-6-9-13-7-4-3-5-8-13/h13-14H,3-12H2,1-2H3,(H,21,22)
InChIKeyGBAIXUVXTAFUIX-UHFFFAOYSA-N
MW387.50 g/mol
LogP2.77
Rot. Bonds10

About 6-cyclohexyl-3-[3-[[methyl(methylsulfonyl)amino]methyl]-1,2,4-oxadiazol-5-yl]hexanoic acid

6-cyclohexyl-3-[3-[[methyl(methylsulfonyl)amino]methyl]-1,2,4-oxadiazol-5-yl]hexanoic acid (PubChem CID 22733095) has the molecular formula C17H29N3O5S and a molecular weight of 387.50 g/mol. Its IUPAC name is 6-cyclohexyl-3-[3-[[methyl(methylsulfonyl)amino]methyl]-1,2,4-oxadiazol-5-yl]hexanoic acid.

Molecular Properties

Compound Name6-cyclohexyl-3-[3-[[methyl(methylsulfonyl)amino]methyl]-1,2,4-oxadiazol-5-yl]hexanoic acid
PubChem CID22733095
Molecular FormulaC17H29N3O5S
Molecular Weight387.50 g/mol
Exact Mass387.18
IUPAC Name6-cyclohexyl-3-[3-[[methyl(methylsulfonyl)amino]methyl]-1,2,4-oxadiazol-5-yl]hexanoic acid
SMILESCN(Cc1noc(C(CCCC2CCCCC2)CC(=O)O)n1)S(C)(=O)=O
InChIInChI=1S/C17H29N3O5S/c1-20(26(2,23)24)12-15-18-17(25-19-15)14(11-16(21)22)10-6-9-13-7-4-3-5-8-13/h13-14H,3-12H2,1-2H3,(H,21,22)
InChIKeyGBAIXUVXTAFUIX-UHFFFAOYSA-N
XLogP2.77
TPSA113.60 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.50
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-cyclohexyl-3-[3-[[methyl(methylsulfonyl)amino]methyl]-1,2,4-oxadiazol-5-yl]hexanoic acid?
The IUPAC name of 6-cyclohexyl-3-[3-[[methyl(methylsulfonyl)amino]methyl]-1,2,4-oxadiazol-5-yl]hexanoic acid (CID 22733095) is 6-cyclohexyl-3-[3-[[methyl(methylsulfonyl)amino]methyl]-1,2,4-oxadiazol-5-yl]hexanoic acid.
What is the SMILES notation for 6-cyclohexyl-3-[3-[[methyl(methylsulfonyl)amino]methyl]-1,2,4-oxadiazol-5-yl]hexanoic acid?
The canonical SMILES for 6-cyclohexyl-3-[3-[[methyl(methylsulfonyl)amino]methyl]-1,2,4-oxadiazol-5-yl]hexanoic acid is CN(Cc1noc(C(CCCC2CCCCC2)CC(=O)O)n1)S(C)(=O)=O.
What is the InChIKey of 6-cyclohexyl-3-[3-[[methyl(methylsulfonyl)amino]methyl]-1,2,4-oxadiazol-5-yl]hexanoic acid?
The InChIKey is GBAIXUVXTAFUIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N3O5S/c1-20(26(2,23)24)12-15-18-17(25-19-15)14(11-16(21)22)10-6-9-13-7-4-3-5-8-13/h13-14H,3-12H2,1-2H3,(H,21,22).
What are the key properties of 6-cyclohexyl-3-[3-[[methyl(methylsulfonyl)amino]methyl]-1,2,4-oxadiazol-5-yl]hexanoic acid?
6-cyclohexyl-3-[3-[[methyl(methylsulfonyl)amino]methyl]-1,2,4-oxadiazol-5-yl]hexanoic acid has a molecular weight of 387.50 g/mol, XLogP of 2.77, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclohexyl-3-[3-[[methyl(methylsulfonyl)amino]methyl]-1,2,4-oxadiazol-5-yl]hexanoic acid is sourced from PubChem (CID 22733095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).