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

C19H30N2O6 — CID 22480784

IUPAC6-cyclohexyl-3-[3-[(2-ethoxy-2-oxoethoxy)methyl]-1,2,4-oxadiazol-5-yl]hexanoic acid
SMILESCCOC(=O)COCc1noc(C(CCCC2CCCCC2)CC(=O)O)n1
InChIInChI=1S/C19H30N2O6/c1-2-26-18(24)13-25-12-16-20-19(27-21-16)15(11-17(22)23)10-6-9-14-7-4-3-5-8-14/h14-15H,2-13H2,1H3,(H,22,23)
InChIKeySDPPORRAFROKQA-UHFFFAOYSA-N
MW382.46 g/mol
LogP3.46
Rot. Bonds12

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

6-cyclohexyl-3-[3-[(2-ethoxy-2-oxoethoxy)methyl]-1,2,4-oxadiazol-5-yl]hexanoic acid (PubChem CID 22480784) has the molecular formula C19H30N2O6 and a molecular weight of 382.46 g/mol. Its IUPAC name is 6-cyclohexyl-3-[3-[(2-ethoxy-2-oxoethoxy)methyl]-1,2,4-oxadiazol-5-yl]hexanoic acid.

Molecular Properties

Compound Name6-cyclohexyl-3-[3-[(2-ethoxy-2-oxoethoxy)methyl]-1,2,4-oxadiazol-5-yl]hexanoic acid
PubChem CID22480784
Molecular FormulaC19H30N2O6
Molecular Weight382.46 g/mol
Exact Mass382.21
IUPAC Name6-cyclohexyl-3-[3-[(2-ethoxy-2-oxoethoxy)methyl]-1,2,4-oxadiazol-5-yl]hexanoic acid
SMILESCCOC(=O)COCc1noc(C(CCCC2CCCCC2)CC(=O)O)n1
InChIInChI=1S/C19H30N2O6/c1-2-26-18(24)13-25-12-16-20-19(27-21-16)15(11-17(22)23)10-6-9-14-7-4-3-5-8-14/h14-15H,2-13H2,1H3,(H,22,23)
InChIKeySDPPORRAFROKQA-UHFFFAOYSA-N
XLogP3.46
TPSA111.75 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds12
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.46
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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

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Related Compounds

(3R)-6-cyclohexyl-3-(3-ethyl-1,2,4-oxadiazol-5-yl)hexanoic acid
CID 59074822
methyl 2-[[5-[(3R)-6-cyclohexyl-1-(hydroxyamino)-1-oxohexan-3-yl]-1,2,4-oxadiazol-3-yl]methoxy]acetate
CID 10271301
(3R)-6-cyclohexyl-3-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]hexanoic acid
CID 59909767
tert-butyl (3R)-6-cyclohexyl-3-[3-(ethylaminomethyl)-1,2,4-oxadiazol-5-yl]hexanoate;(3R)-6-cyclohexyl-3-[3-(ethylaminomethyl)-1,2,4-oxadiazol-5-yl]hexanoic acid
CID 161092930
(3R)-6-cyclohexyl-3-[3-[[(2-methoxy-2-oxoethyl)amino]methyl]-1,2,4-oxadiazol-5-yl]hexanoic acid;methyl 2-[[5-[(3R)-6-cyclohexyl-1-(hydroxyamino)-1-oxohexan-3-yl]-1,2,4-oxadiazol-3-yl]methylamino]acetate
CID 161112827
(4R)-7-cyclohexyl-4-(3-ethyl-1,2,4-oxadiazol-5-yl)heptan-2-one
CID 58860994
(3R)-6-cyclohexyl-3-[3-[(cyclopropanecarbonylamino)methyl]-1,2,4-oxadiazol-5-yl]hexanoic acid;ethane
CID 142148177
tert-butyl (3R)-6-cyclohexyl-3-[3-(propylaminomethyl)-1,2,4-oxadiazol-5-yl]hexanoate;(3R)-6-cyclohexyl-3-[3-(propylaminomethyl)-1,2,4-oxadiazol-5-yl]hexanoic acid
CID 158200865
6-cyclohexyl-3-[3-[[methyl(methylsulfonyl)amino]methyl]-1,2,4-oxadiazol-5-yl]hexanoic acid
CID 22733095
(3R)-3-[3-(aminomethyl)-1,2,4-oxadiazol-5-yl]-6-cyclohexylhexanoic acid;(3R)-6-cyclohexyl-3-[3-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-1,2,4-oxadiazol-5-yl]hexanoic acid
CID 162199549
(3R)-6-cyclohexyl-3-[3-[(propan-2-ylsulfonylamino)methyl]-1,2,4-oxadiazol-5-yl]hexanoic acid
CID 16748572
[5-(1-cyclohexyl-6-oxoheptan-4-yl)-1,2,4-oxadiazol-3-yl]methyl 4-methylbenzenesulfonate
CID 21305052

Frequently Asked Questions

What is the IUPAC name of 6-cyclohexyl-3-[3-[(2-ethoxy-2-oxoethoxy)methyl]-1,2,4-oxadiazol-5-yl]hexanoic acid?
The IUPAC name of 6-cyclohexyl-3-[3-[(2-ethoxy-2-oxoethoxy)methyl]-1,2,4-oxadiazol-5-yl]hexanoic acid (CID 22480784) is 6-cyclohexyl-3-[3-[(2-ethoxy-2-oxoethoxy)methyl]-1,2,4-oxadiazol-5-yl]hexanoic acid.
What is the SMILES notation for 6-cyclohexyl-3-[3-[(2-ethoxy-2-oxoethoxy)methyl]-1,2,4-oxadiazol-5-yl]hexanoic acid?
The canonical SMILES for 6-cyclohexyl-3-[3-[(2-ethoxy-2-oxoethoxy)methyl]-1,2,4-oxadiazol-5-yl]hexanoic acid is CCOC(=O)COCc1noc(C(CCCC2CCCCC2)CC(=O)O)n1.
What is the InChIKey of 6-cyclohexyl-3-[3-[(2-ethoxy-2-oxoethoxy)methyl]-1,2,4-oxadiazol-5-yl]hexanoic acid?
The InChIKey is SDPPORRAFROKQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N2O6/c1-2-26-18(24)13-25-12-16-20-19(27-21-16)15(11-17(22)23)10-6-9-14-7-4-3-5-8-14/h14-15H,2-13H2,1H3,(H,22,23).
What are the key properties of 6-cyclohexyl-3-[3-[(2-ethoxy-2-oxoethoxy)methyl]-1,2,4-oxadiazol-5-yl]hexanoic acid?
6-cyclohexyl-3-[3-[(2-ethoxy-2-oxoethoxy)methyl]-1,2,4-oxadiazol-5-yl]hexanoic acid has a molecular weight of 382.46 g/mol, XLogP of 3.46, 12 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclohexyl-3-[3-[(2-ethoxy-2-oxoethoxy)methyl]-1,2,4-oxadiazol-5-yl]hexanoic acid is sourced from PubChem (CID 22480784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).