4-(3-cyclooctyl-1,2,4-oxadiazol-5-yl)-3,3-dimethylbutanoic acid

C16H26N2O3 — CID 80609878

IUPAC4-(3-cyclooctyl-1,2,4-oxadiazol-5-yl)-3,3-dimethylbutanoic acid
SMILESCC(C)(CC(=O)O)Cc1nc(C2CCCCCCC2)no1
InChIInChI=1S/C16H26N2O3/c1-16(2,11-14(19)20)10-13-17-15(18-21-13)12-8-6-4-3-5-7-9-12/h12H,3-11H2,1-2H3,(H,19,20)
InChIKeyGLFVSERCEQWRSL-UHFFFAOYSA-N
MW294.39 g/mol
LogP3.94
Rot. Bonds5

About 4-(3-cyclooctyl-1,2,4-oxadiazol-5-yl)-3,3-dimethylbutanoic acid

4-(3-cyclooctyl-1,2,4-oxadiazol-5-yl)-3,3-dimethylbutanoic acid (PubChem CID 80609878) has the molecular formula C16H26N2O3 and a molecular weight of 294.39 g/mol. Its IUPAC name is 4-(3-cyclooctyl-1,2,4-oxadiazol-5-yl)-3,3-dimethylbutanoic acid.

Molecular Properties

Compound Name4-(3-cyclooctyl-1,2,4-oxadiazol-5-yl)-3,3-dimethylbutanoic acid
PubChem CID80609878
Molecular FormulaC16H26N2O3
Molecular Weight294.39 g/mol
Exact Mass294.19
IUPAC Name4-(3-cyclooctyl-1,2,4-oxadiazol-5-yl)-3,3-dimethylbutanoic acid
SMILESCC(C)(CC(=O)O)Cc1nc(C2CCCCCCC2)no1
InChIInChI=1S/C16H26N2O3/c1-16(2,11-14(19)20)10-13-17-15(18-21-13)12-8-6-4-3-5-7-9-12/h12H,3-11H2,1-2H3,(H,19,20)
InChIKeyGLFVSERCEQWRSL-UHFFFAOYSA-N
XLogP3.94
TPSA76.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
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 4-(3-cyclooctyl-1,2,4-oxadiazol-5-yl)-3,3-dimethylbutanoic acid?
The IUPAC name of 4-(3-cyclooctyl-1,2,4-oxadiazol-5-yl)-3,3-dimethylbutanoic acid (CID 80609878) is 4-(3-cyclooctyl-1,2,4-oxadiazol-5-yl)-3,3-dimethylbutanoic acid.
What is the SMILES notation for 4-(3-cyclooctyl-1,2,4-oxadiazol-5-yl)-3,3-dimethylbutanoic acid?
The canonical SMILES for 4-(3-cyclooctyl-1,2,4-oxadiazol-5-yl)-3,3-dimethylbutanoic acid is CC(C)(CC(=O)O)Cc1nc(C2CCCCCCC2)no1.
What is the InChIKey of 4-(3-cyclooctyl-1,2,4-oxadiazol-5-yl)-3,3-dimethylbutanoic acid?
The InChIKey is GLFVSERCEQWRSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O3/c1-16(2,11-14(19)20)10-13-17-15(18-21-13)12-8-6-4-3-5-7-9-12/h12H,3-11H2,1-2H3,(H,19,20).
What are the key properties of 4-(3-cyclooctyl-1,2,4-oxadiazol-5-yl)-3,3-dimethylbutanoic acid?
4-(3-cyclooctyl-1,2,4-oxadiazol-5-yl)-3,3-dimethylbutanoic acid has a molecular weight of 294.39 g/mol, XLogP of 3.94, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-cyclooctyl-1,2,4-oxadiazol-5-yl)-3,3-dimethylbutanoic acid is sourced from PubChem (CID 80609878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).