3-octyl-1,2-oxazol-5-amine

C11H20N2O — CID 65427877

IUPAC3-octyl-1,2-oxazol-5-amine
SMILESCCCCCCCCc1cc(N)on1
InChIInChI=1S/C11H20N2O/c1-2-3-4-5-6-7-8-10-9-11(12)14-13-10/h9H,2-8,12H2,1H3
InChIKeyYQTQEXGPNOGESW-UHFFFAOYSA-N
MW196.29 g/mol
LogP3.16
Rot. Bonds7

About 3-octyl-1,2-oxazol-5-amine

3-octyl-1,2-oxazol-5-amine (PubChem CID 65427877) has the molecular formula C11H20N2O and a molecular weight of 196.29 g/mol. Its IUPAC name is 3-octyl-1,2-oxazol-5-amine.

Molecular Properties

Compound Name3-octyl-1,2-oxazol-5-amine
PubChem CID65427877
Molecular FormulaC11H20N2O
Molecular Weight196.29 g/mol
Exact Mass196.16
IUPAC Name3-octyl-1,2-oxazol-5-amine
SMILESCCCCCCCCc1cc(N)on1
InChIInChI=1S/C11H20N2O/c1-2-3-4-5-6-7-8-10-9-11(12)14-13-10/h9H,2-8,12H2,1H3
InChIKeyYQTQEXGPNOGESW-UHFFFAOYSA-N
XLogP3.16
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.29
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-octyl-1,2-oxazol-5-amine?
The IUPAC name of 3-octyl-1,2-oxazol-5-amine (CID 65427877) is 3-octyl-1,2-oxazol-5-amine.
What is the SMILES notation for 3-octyl-1,2-oxazol-5-amine?
The canonical SMILES for 3-octyl-1,2-oxazol-5-amine is CCCCCCCCc1cc(N)on1.
What is the InChIKey of 3-octyl-1,2-oxazol-5-amine?
The InChIKey is YQTQEXGPNOGESW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O/c1-2-3-4-5-6-7-8-10-9-11(12)14-13-10/h9H,2-8,12H2,1H3.
What are the key properties of 3-octyl-1,2-oxazol-5-amine?
3-octyl-1,2-oxazol-5-amine has a molecular weight of 196.29 g/mol, XLogP of 3.16, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-octyl-1,2-oxazol-5-amine is sourced from PubChem (CID 65427877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).