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

C15H24N2O3 — CID 103500634

IUPAC3-(3-cyclooctyl-1,2,4-oxadiazol-5-yl)-2-methylbutanoic acid
SMILESCC(C(=O)O)C(C)c1nc(C2CCCCCCC2)no1
InChIInChI=1S/C15H24N2O3/c1-10(11(2)15(18)19)14-16-13(17-20-14)12-8-6-4-3-5-7-9-12/h10-12H,3-9H2,1-2H3,(H,18,19)
InChIKeyCQLWSFLNIBJKQB-UHFFFAOYSA-N
MW280.37 g/mol
LogP3.72
Rot. Bonds4

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

3-(3-cyclooctyl-1,2,4-oxadiazol-5-yl)-2-methylbutanoic acid (PubChem CID 103500634) has the molecular formula C15H24N2O3 and a molecular weight of 280.37 g/mol. Its IUPAC name is 3-(3-cyclooctyl-1,2,4-oxadiazol-5-yl)-2-methylbutanoic acid.

Molecular Properties

Compound Name3-(3-cyclooctyl-1,2,4-oxadiazol-5-yl)-2-methylbutanoic acid
PubChem CID103500634
Molecular FormulaC15H24N2O3
Molecular Weight280.37 g/mol
Exact Mass280.18
IUPAC Name3-(3-cyclooctyl-1,2,4-oxadiazol-5-yl)-2-methylbutanoic acid
SMILESCC(C(=O)O)C(C)c1nc(C2CCCCCCC2)no1
InChIInChI=1S/C15H24N2O3/c1-10(11(2)15(18)19)14-16-13(17-20-14)12-8-6-4-3-5-7-9-12/h10-12H,3-9H2,1-2H3,(H,18,19)
InChIKeyCQLWSFLNIBJKQB-UHFFFAOYSA-N
XLogP3.72
TPSA76.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[3-(3-ethylcyclopentyl)-1,2,4-oxadiazol-5-yl]-2-methylbutanoic acid
CID 103500564
2-(3-cyclooctyl-1,2,4-oxadiazol-5-yl)pentan-3-one
CID 80610154
(1S,2R)-1-amino-1-(3-cycloheptyl-1,2,4-oxadiazol-5-yl)propan-2-ol
CID 104965493
3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)butan-2-ol
CID 63346025
(1R)-1-(3-cyclobutyl-1,2,4-oxadiazol-5-yl)ethanamine
CID 104880933
3-[3-(2,3-dihydro-1H-inden-1-yl)-1,2,4-oxadiazol-5-yl]-2-methylbutanoic acid
CID 103500568
2-(3-cyclohexyl-1,2,4-oxadiazol-5-yl)-1-phenylpropan-1-amine;hydrochloride
CID 119948094
2-(3-cyclooctyl-1,2,4-oxadiazol-5-yl)-N-ethylpentan-3-amine
CID 80610609
3-[3-(5,6-dimethyl-1,4-dithian-2-yl)-1,2,4-oxadiazol-5-yl]-2-methylbutanoic acid
CID 103500717
3-[1-(3-cyclohexyl-1,2,4-oxadiazol-5-yl)ethylcarbamoylamino]propanoic acid
CID 122004494
3-amino-N-[1-(3-cyclohexyl-1,2,4-oxadiazol-5-yl)ethyl]butanamide
CID 119817400
ethyl 2-(3-cyclohexyl-1,2,4-oxadiazol-5-yl)-4-methylpentanoate
CID 79481205

Frequently Asked Questions

What is the IUPAC name of 3-(3-cyclooctyl-1,2,4-oxadiazol-5-yl)-2-methylbutanoic acid?
The IUPAC name of 3-(3-cyclooctyl-1,2,4-oxadiazol-5-yl)-2-methylbutanoic acid (CID 103500634) is 3-(3-cyclooctyl-1,2,4-oxadiazol-5-yl)-2-methylbutanoic acid.
What is the SMILES notation for 3-(3-cyclooctyl-1,2,4-oxadiazol-5-yl)-2-methylbutanoic acid?
The canonical SMILES for 3-(3-cyclooctyl-1,2,4-oxadiazol-5-yl)-2-methylbutanoic acid is CC(C(=O)O)C(C)c1nc(C2CCCCCCC2)no1.
What is the InChIKey of 3-(3-cyclooctyl-1,2,4-oxadiazol-5-yl)-2-methylbutanoic acid?
The InChIKey is CQLWSFLNIBJKQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O3/c1-10(11(2)15(18)19)14-16-13(17-20-14)12-8-6-4-3-5-7-9-12/h10-12H,3-9H2,1-2H3,(H,18,19).
What are the key properties of 3-(3-cyclooctyl-1,2,4-oxadiazol-5-yl)-2-methylbutanoic acid?
3-(3-cyclooctyl-1,2,4-oxadiazol-5-yl)-2-methylbutanoic acid has a molecular weight of 280.37 g/mol, XLogP of 3.72, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-cyclooctyl-1,2,4-oxadiazol-5-yl)-2-methylbutanoic acid is sourced from PubChem (CID 103500634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).