3-cyclooctyl-5-propan-2-yl-1,2-oxazole-4-carboxylic acid

C15H23NO3 — CID 114207942

IUPAC3-cyclooctyl-5-propan-2-yl-1,2-oxazole-4-carboxylic acid
SMILESCC(C)c1onc(C2CCCCCCC2)c1C(=O)O
InChIInChI=1S/C15H23NO3/c1-10(2)14-12(15(17)18)13(16-19-14)11-8-6-4-3-5-7-9-11/h10-11H,3-9H2,1-2H3,(H,17,18)
InChIKeyKOIAVFRWNDQXLQ-UHFFFAOYSA-N
MW265.35 g/mol
LogP4.32
Rot. Bonds3

About 3-cyclooctyl-5-propan-2-yl-1,2-oxazole-4-carboxylic acid

3-cyclooctyl-5-propan-2-yl-1,2-oxazole-4-carboxylic acid (PubChem CID 114207942) has the molecular formula C15H23NO3 and a molecular weight of 265.35 g/mol. Its IUPAC name is 3-cyclooctyl-5-propan-2-yl-1,2-oxazole-4-carboxylic acid.

Molecular Properties

Compound Name3-cyclooctyl-5-propan-2-yl-1,2-oxazole-4-carboxylic acid
PubChem CID114207942
Molecular FormulaC15H23NO3
Molecular Weight265.35 g/mol
Exact Mass265.17
IUPAC Name3-cyclooctyl-5-propan-2-yl-1,2-oxazole-4-carboxylic acid
SMILESCC(C)c1onc(C2CCCCCCC2)c1C(=O)O
InChIInChI=1S/C15H23NO3/c1-10(2)14-12(15(17)18)13(16-19-14)11-8-6-4-3-5-7-9-11/h10-11H,3-9H2,1-2H3,(H,17,18)
InChIKeyKOIAVFRWNDQXLQ-UHFFFAOYSA-N
XLogP4.32
TPSA63.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.35
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-cyclooctyl-5-propan-2-yl-1,2-oxazole-4-carboxylic acid?
The IUPAC name of 3-cyclooctyl-5-propan-2-yl-1,2-oxazole-4-carboxylic acid (CID 114207942) is 3-cyclooctyl-5-propan-2-yl-1,2-oxazole-4-carboxylic acid.
What is the SMILES notation for 3-cyclooctyl-5-propan-2-yl-1,2-oxazole-4-carboxylic acid?
The canonical SMILES for 3-cyclooctyl-5-propan-2-yl-1,2-oxazole-4-carboxylic acid is CC(C)c1onc(C2CCCCCCC2)c1C(=O)O.
What is the InChIKey of 3-cyclooctyl-5-propan-2-yl-1,2-oxazole-4-carboxylic acid?
The InChIKey is KOIAVFRWNDQXLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO3/c1-10(2)14-12(15(17)18)13(16-19-14)11-8-6-4-3-5-7-9-11/h10-11H,3-9H2,1-2H3,(H,17,18).
What are the key properties of 3-cyclooctyl-5-propan-2-yl-1,2-oxazole-4-carboxylic acid?
3-cyclooctyl-5-propan-2-yl-1,2-oxazole-4-carboxylic acid has a molecular weight of 265.35 g/mol, XLogP of 4.32, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclooctyl-5-propan-2-yl-1,2-oxazole-4-carboxylic acid is sourced from PubChem (CID 114207942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).