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

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

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Related Compounds

(3R)-6-cyclohexyl-N-hydroxy-3-[3-[[methyl(methylsulfonyl)amino]methyl]-1,2,4-oxadiazol-5-yl]hexanamide
CID 10179252
(3R)-6-cyclohexyl-3-(3-ethyl-1,2,4-oxadiazol-5-yl)hexanoic acid
CID 59074822
(3R)-2-tert-butyl-6-cyclohexyl-3-[3-[[methyl(methylsulfonyl)amino]methyl]-1,2,4-oxadiazol-5-yl]hexanoic acid
CID 69430898
(3R)-6-cyclohexyl-3-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]hexanoic acid
CID 59909767
(3R)-6-cyclohexyl-3-[3-[(propan-2-ylsulfonylamino)methyl]-1,2,4-oxadiazol-5-yl]hexanoic acid
CID 16748572
(3R)-6-cyclohexyl-3-[3-[(cyclopropanecarbonylamino)methyl]-1,2,4-oxadiazol-5-yl]hexanoic acid;ethane
CID 142148177
ethane;propan-2-yl (3R)-3-[3-[[acetyl(methyl)amino]methyl]-1,2,4-oxadiazol-5-yl]-6-cyclohexylhexanoate
CID 142148174
(4R)-7-cyclohexyl-4-(3-ethyl-1,2,4-oxadiazol-5-yl)heptan-2-one
CID 58860994
(3R)-6-cyclohexyl-3-[3-[[[2-(dimethylamino)acetyl]amino]methyl]-1,2,4-oxadiazol-5-yl]hexanoic acid;(3R)-6-cyclohexyl-3-[3-[[[2-(dimethylamino)acetyl]amino]methyl]-1,2,4-oxadiazol-5-yl]-N-hydroxyhexanamide
CID 159714511
6-cyclohexyl-3-[3-[(2-ethoxy-2-oxoethoxy)methyl]-1,2,4-oxadiazol-5-yl]hexanoic acid
CID 22480784
6-cyclohexyl-3-[3-(1,2,4-triazol-1-ylmethyl)-1,2,4-oxadiazol-5-yl]hexanoic acid
CID 22733256
(3R)-6-cyclohexyl-3-[3-[2-(dimethylamino)ethyl-methylcarbamoyl]-1,2,4-oxadiazol-5-yl]hexanoic acid
CID 59909835

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).