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

C16H26N2O3 — CID 59074822

IUPAC(3R)-6-cyclohexyl-3-(3-ethyl-1,2,4-oxadiazol-5-yl)hexanoic acid
SMILESCCc1noc([C@H](CCCC2CCCCC2)CC(=O)O)n1
InChIInChI=1S/C16H26N2O3/c1-2-14-17-16(21-18-14)13(11-15(19)20)10-6-9-12-7-4-3-5-8-12/h12-13H,2-11H2,1H3,(H,19,20)/t13-/m1/s1
InChIKeyGSWSRLJWJVUNBR-CYBMUJFWSA-N
MW294.39 g/mol
LogP3.94
Rot. Bonds8

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

(3R)-6-cyclohexyl-3-(3-ethyl-1,2,4-oxadiazol-5-yl)hexanoic acid (PubChem CID 59074822) has the molecular formula C16H26N2O3 and a molecular weight of 294.39 g/mol. Its IUPAC name is (3R)-6-cyclohexyl-3-(3-ethyl-1,2,4-oxadiazol-5-yl)hexanoic acid.

Molecular Properties

Compound Name(3R)-6-cyclohexyl-3-(3-ethyl-1,2,4-oxadiazol-5-yl)hexanoic acid
PubChem CID59074822
Molecular FormulaC16H26N2O3
Molecular Weight294.39 g/mol
Exact Mass294.19
IUPAC Name(3R)-6-cyclohexyl-3-(3-ethyl-1,2,4-oxadiazol-5-yl)hexanoic acid
SMILESCCc1noc([C@H](CCCC2CCCCC2)CC(=O)O)n1
InChIInChI=1S/C16H26N2O3/c1-2-14-17-16(21-18-14)13(11-15(19)20)10-6-9-12-7-4-3-5-8-12/h12-13H,2-11H2,1H3,(H,19,20)/t13-/m1/s1
InChIKeyGSWSRLJWJVUNBR-CYBMUJFWSA-N
XLogP3.94
TPSA76.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.39
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3R)-6-cyclohexyl-3-(3-ethyl-1,2,4-oxadiazol-5-yl)hexanoic acid?
The IUPAC name of (3R)-6-cyclohexyl-3-(3-ethyl-1,2,4-oxadiazol-5-yl)hexanoic acid (CID 59074822) is (3R)-6-cyclohexyl-3-(3-ethyl-1,2,4-oxadiazol-5-yl)hexanoic acid.
What is the SMILES notation for (3R)-6-cyclohexyl-3-(3-ethyl-1,2,4-oxadiazol-5-yl)hexanoic acid?
The canonical SMILES for (3R)-6-cyclohexyl-3-(3-ethyl-1,2,4-oxadiazol-5-yl)hexanoic acid is CCc1noc([C@H](CCCC2CCCCC2)CC(=O)O)n1.
What is the InChIKey of (3R)-6-cyclohexyl-3-(3-ethyl-1,2,4-oxadiazol-5-yl)hexanoic acid?
The InChIKey is GSWSRLJWJVUNBR-CYBMUJFWSA-N. The full InChI is InChI=1S/C16H26N2O3/c1-2-14-17-16(21-18-14)13(11-15(19)20)10-6-9-12-7-4-3-5-8-12/h12-13H,2-11H2,1H3,(H,19,20)/t13-/m1/s1.
What are the key properties of (3R)-6-cyclohexyl-3-(3-ethyl-1,2,4-oxadiazol-5-yl)hexanoic acid?
(3R)-6-cyclohexyl-3-(3-ethyl-1,2,4-oxadiazol-5-yl)hexanoic acid has a molecular weight of 294.39 g/mol, XLogP of 3.94, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-6-cyclohexyl-3-(3-ethyl-1,2,4-oxadiazol-5-yl)hexanoic acid is sourced from PubChem (CID 59074822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).