6-(1-tert-butylcyclohexyl)-3-[3-(methylaminomethyl)-1,2,4-oxadiazol-5-yl]hexanoate

C20H34N3O3- — CID 21094527

IUPAC6-(1-tert-butylcyclohexyl)-3-[3-(methylaminomethyl)-1,2,4-oxadiazol-5-yl]hexanoate
SMILESCNCc1noc(C(CCCC2(C(C)(C)C)CCCCC2)CC(=O)[O-])n1
InChIInChI=1S/C20H35N3O3/c1-19(2,3)20(10-6-5-7-11-20)12-8-9-15(13-17(24)25)18-22-16(14-21-4)23-26-18/h15,21H,5-14H2,1-4H3,(H,24,25)/p-1
InChIKeyFTVJVSNBWXRSGX-UHFFFAOYSA-M
MW364.51 g/mol
LogP3.18
Rot. Bonds9

About 6-(1-tert-butylcyclohexyl)-3-[3-(methylaminomethyl)-1,2,4-oxadiazol-5-yl]hexanoate

6-(1-tert-butylcyclohexyl)-3-[3-(methylaminomethyl)-1,2,4-oxadiazol-5-yl]hexanoate (PubChem CID 21094527) has the molecular formula C20H34N3O3- and a molecular weight of 364.51 g/mol. Its IUPAC name is 6-(1-tert-butylcyclohexyl)-3-[3-(methylaminomethyl)-1,2,4-oxadiazol-5-yl]hexanoate.

Molecular Properties

Compound Name6-(1-tert-butylcyclohexyl)-3-[3-(methylaminomethyl)-1,2,4-oxadiazol-5-yl]hexanoate
PubChem CID21094527
Molecular FormulaC20H34N3O3-
Molecular Weight364.51 g/mol
Exact Mass364.26
IUPAC Name6-(1-tert-butylcyclohexyl)-3-[3-(methylaminomethyl)-1,2,4-oxadiazol-5-yl]hexanoate
SMILESCNCc1noc(C(CCCC2(C(C)(C)C)CCCCC2)CC(=O)[O-])n1
InChIInChI=1S/C20H35N3O3/c1-19(2,3)20(10-6-5-7-11-20)12-8-9-15(13-17(24)25)18-22-16(14-21-4)23-26-18/h15,21H,5-14H2,1-4H3,(H,24,25)/p-1
InChIKeyFTVJVSNBWXRSGX-UHFFFAOYSA-M
XLogP3.18
TPSA91.08 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.51
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 6-(1-tert-butylcyclohexyl)-3-[3-(methylaminomethyl)-1,2,4-oxadiazol-5-yl]hexanoate with MolForge

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Related Compounds

(3R)-6-cyclohexyl-N-hydroxy-3-{3-[(methylamino)methyl]-1,2,4-oxadiazol-5-yl}hexanamide
CID 9858438
(3R)-6-cyclohexyl-3-{3-[(dimethylamino)methyl]-1,2,4-oxadiazol-5-yl}-Nhydroxyhexanamide
CID 9880993
(R)-5-(6-cyclohexyl-1-(hydroxyamino)-1-oxohexan-3-yl)-N-methyl-1,2,4-oxadiazole-3-carboxamide
CID 9902427
(3R)-6-cyclohexyl-N-hydroxy-3-[3-(aminomethyl)-1,2,4-oxadiazol-5-yl]hexanamide
CID 9922714
(3R)-6-cyclohexyl-N-hydroxy-3-[3-(1-pyrrolidinylmethyl)-1,2,4-oxadiazol-5-yl]hexanamide
CID 9925298
(3R)-6-cyclohexyl-3-{3-[(ethylamino)methyl]-1,2,4-oxadiazol-5-yl}-Nhydroxyhexanamide
CID 9967696
(3R)-3-{3-[(acetylamino)methyl]-1,2,4-oxadiazol-5-yl}-6-cyclohexyl-Nhydroxyhexanamide
CID 9968401
(3R)-3-{3-[(tert-butylamino)methyl]-1,2,4-oxadiazol-5-yl}-6-cyclohexyl-Nhydroxyhexanamide
CID 10109498
(3R)-6-cyclohexyl-3-{3-[(cyclopropylamino)methyl]-1,2,4-oxadiazol-5-yl}-Nhydroxyhexanamide
CID 10132603
(3R)-3-(3-{[acetyl(methyl)amino]methyl}-1,2,4-oxadiazol-5-yl)-6-cyclohexyl-Nhydroxyhexanamide
CID 10155792
(3R)-6-cyclohexyl-N-hydroxy-3-{3-[(isopropylamino)methyl]-1,2,4-oxadiazol-5-yl}hexanamide
CID 10269446
(3R)-3-{3-[(cyclobutylamino)methyl]-1,2,4-oxadiazol-5-yl}-6-cyclohexyl-Nhydroxyhexanamide
CID 10270164

Frequently Asked Questions

What is the IUPAC name of 6-(1-tert-butylcyclohexyl)-3-[3-(methylaminomethyl)-1,2,4-oxadiazol-5-yl]hexanoate?
The IUPAC name of 6-(1-tert-butylcyclohexyl)-3-[3-(methylaminomethyl)-1,2,4-oxadiazol-5-yl]hexanoate (CID 21094527) is 6-(1-tert-butylcyclohexyl)-3-[3-(methylaminomethyl)-1,2,4-oxadiazol-5-yl]hexanoate.
What is the SMILES notation for 6-(1-tert-butylcyclohexyl)-3-[3-(methylaminomethyl)-1,2,4-oxadiazol-5-yl]hexanoate?
The canonical SMILES for 6-(1-tert-butylcyclohexyl)-3-[3-(methylaminomethyl)-1,2,4-oxadiazol-5-yl]hexanoate is CNCc1noc(C(CCCC2(C(C)(C)C)CCCCC2)CC(=O)[O-])n1.
What is the InChIKey of 6-(1-tert-butylcyclohexyl)-3-[3-(methylaminomethyl)-1,2,4-oxadiazol-5-yl]hexanoate?
The InChIKey is FTVJVSNBWXRSGX-UHFFFAOYSA-M. The full InChI is InChI=1S/C20H35N3O3/c1-19(2,3)20(10-6-5-7-11-20)12-8-9-15(13-17(24)25)18-22-16(14-21-4)23-26-18/h15,21H,5-14H2,1-4H3,(H,24,25)/p-1.
What are the key properties of 6-(1-tert-butylcyclohexyl)-3-[3-(methylaminomethyl)-1,2,4-oxadiazol-5-yl]hexanoate?
6-(1-tert-butylcyclohexyl)-3-[3-(methylaminomethyl)-1,2,4-oxadiazol-5-yl]hexanoate has a molecular weight of 364.51 g/mol, XLogP of 3.18, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1-tert-butylcyclohexyl)-3-[3-(methylaminomethyl)-1,2,4-oxadiazol-5-yl]hexanoate is sourced from PubChem (CID 21094527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).