(3R)-6-cyclohexyl-3-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]hexanoic acid

C17H28N2O4 — CID 59909767

IUPAC(3R)-6-cyclohexyl-3-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]hexanoic acid
SMILESCOCCc1noc([C@H](CCCC2CCCCC2)CC(=O)O)n1
InChIInChI=1S/C17H28N2O4/c1-22-11-10-15-18-17(23-19-15)14(12-16(20)21)9-5-8-13-6-3-2-4-7-13/h13-14H,2-12H2,1H3,(H,20,21)/t14-/m1/s1
InChIKeyNOQVSUKPYFORPR-CQSZACIVSA-N
MW324.42 g/mol
LogP3.57
Rot. Bonds10

About (3R)-6-cyclohexyl-3-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]hexanoic acid

(3R)-6-cyclohexyl-3-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]hexanoic acid (PubChem CID 59909767) has the molecular formula C17H28N2O4 and a molecular weight of 324.42 g/mol. Its IUPAC name is (3R)-6-cyclohexyl-3-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]hexanoic acid.

Molecular Properties

Compound Name(3R)-6-cyclohexyl-3-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]hexanoic acid
PubChem CID59909767
Molecular FormulaC17H28N2O4
Molecular Weight324.42 g/mol
Exact Mass324.20
IUPAC Name(3R)-6-cyclohexyl-3-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]hexanoic acid
SMILESCOCCc1noc([C@H](CCCC2CCCCC2)CC(=O)O)n1
InChIInChI=1S/C17H28N2O4/c1-22-11-10-15-18-17(23-19-15)14(12-16(20)21)9-5-8-13-6-3-2-4-7-13/h13-14H,2-12H2,1H3,(H,20,21)/t14-/m1/s1
InChIKeyNOQVSUKPYFORPR-CQSZACIVSA-N
XLogP3.57
TPSA85.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.42
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (3R)-6-cyclohexyl-3-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]hexanoic acid?
The IUPAC name of (3R)-6-cyclohexyl-3-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]hexanoic acid (CID 59909767) is (3R)-6-cyclohexyl-3-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]hexanoic acid.
What is the SMILES notation for (3R)-6-cyclohexyl-3-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]hexanoic acid?
The canonical SMILES for (3R)-6-cyclohexyl-3-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]hexanoic acid is COCCc1noc([C@H](CCCC2CCCCC2)CC(=O)O)n1.
What is the InChIKey of (3R)-6-cyclohexyl-3-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]hexanoic acid?
The InChIKey is NOQVSUKPYFORPR-CQSZACIVSA-N. The full InChI is InChI=1S/C17H28N2O4/c1-22-11-10-15-18-17(23-19-15)14(12-16(20)21)9-5-8-13-6-3-2-4-7-13/h13-14H,2-12H2,1H3,(H,20,21)/t14-/m1/s1.
What are the key properties of (3R)-6-cyclohexyl-3-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]hexanoic acid?
(3R)-6-cyclohexyl-3-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]hexanoic acid has a molecular weight of 324.42 g/mol, XLogP of 3.57, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-6-cyclohexyl-3-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]hexanoic acid is sourced from PubChem (CID 59909767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).