5-cyclooctyl-4-(2-methylpropyl)-1,2-oxazol-3-amine

C15H26N2O — CID 66197867

IUPAC5-cyclooctyl-4-(2-methylpropyl)-1,2-oxazol-3-amine
SMILESCC(C)Cc1c(N)noc1C1CCCCCCC1
InChIInChI=1S/C15H26N2O/c1-11(2)10-13-14(18-17-15(13)16)12-8-6-4-3-5-7-9-12/h11-12H,3-10H2,1-2H3,(H2,16,17)
InChIKeyONNCPPFJYOJAGE-UHFFFAOYSA-N
MW250.39 g/mol
LogP4.28
Rot. Bonds3

About 5-cyclooctyl-4-(2-methylpropyl)-1,2-oxazol-3-amine

5-cyclooctyl-4-(2-methylpropyl)-1,2-oxazol-3-amine (PubChem CID 66197867) has the molecular formula C15H26N2O and a molecular weight of 250.39 g/mol. Its IUPAC name is 5-cyclooctyl-4-(2-methylpropyl)-1,2-oxazol-3-amine.

Molecular Properties

Compound Name5-cyclooctyl-4-(2-methylpropyl)-1,2-oxazol-3-amine
PubChem CID66197867
Molecular FormulaC15H26N2O
Molecular Weight250.39 g/mol
Exact Mass250.20
IUPAC Name5-cyclooctyl-4-(2-methylpropyl)-1,2-oxazol-3-amine
SMILESCC(C)Cc1c(N)noc1C1CCCCCCC1
InChIInChI=1S/C15H26N2O/c1-11(2)10-13-14(18-17-15(13)16)12-8-6-4-3-5-7-9-12/h11-12H,3-10H2,1-2H3,(H2,16,17)
InChIKeyONNCPPFJYOJAGE-UHFFFAOYSA-N
XLogP4.28
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.39
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 5-cyclooctyl-4-(2-methylpropyl)-1,2-oxazol-3-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-cyclooctyl-4-(2-methylpropyl)-1,2-oxazol-3-amine?
The IUPAC name of 5-cyclooctyl-4-(2-methylpropyl)-1,2-oxazol-3-amine (CID 66197867) is 5-cyclooctyl-4-(2-methylpropyl)-1,2-oxazol-3-amine.
What is the SMILES notation for 5-cyclooctyl-4-(2-methylpropyl)-1,2-oxazol-3-amine?
The canonical SMILES for 5-cyclooctyl-4-(2-methylpropyl)-1,2-oxazol-3-amine is CC(C)Cc1c(N)noc1C1CCCCCCC1.
What is the InChIKey of 5-cyclooctyl-4-(2-methylpropyl)-1,2-oxazol-3-amine?
The InChIKey is ONNCPPFJYOJAGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O/c1-11(2)10-13-14(18-17-15(13)16)12-8-6-4-3-5-7-9-12/h11-12H,3-10H2,1-2H3,(H2,16,17).
What are the key properties of 5-cyclooctyl-4-(2-methylpropyl)-1,2-oxazol-3-amine?
5-cyclooctyl-4-(2-methylpropyl)-1,2-oxazol-3-amine has a molecular weight of 250.39 g/mol, XLogP of 4.28, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclooctyl-4-(2-methylpropyl)-1,2-oxazol-3-amine is sourced from PubChem (CID 66197867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).