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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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).