2-(3-cyclobutyl-1,2-oxazol-5-yl)ethanamine

C9H14N2O — CID 83845883

IUPAC2-(3-cyclobutyl-1,2-oxazol-5-yl)ethanamine
SMILESNCCc1cc(C2CCC2)no1
InChIInChI=1S/C9H14N2O/c10-5-4-8-6-9(11-12-8)7-2-1-3-7/h6-7H,1-5,10H2
InChIKeyQKFUKNGJCYVDPF-UHFFFAOYSA-N
MW166.22 g/mol
LogP1.44
Rot. Bonds3

About 2-(3-cyclobutyl-1,2-oxazol-5-yl)ethanamine

2-(3-cyclobutyl-1,2-oxazol-5-yl)ethanamine (PubChem CID 83845883) has the molecular formula C9H14N2O and a molecular weight of 166.22 g/mol. Its IUPAC name is 2-(3-cyclobutyl-1,2-oxazol-5-yl)ethanamine.

Molecular Properties

Compound Name2-(3-cyclobutyl-1,2-oxazol-5-yl)ethanamine
PubChem CID83845883
Molecular FormulaC9H14N2O
Molecular Weight166.22 g/mol
Exact Mass166.11
IUPAC Name2-(3-cyclobutyl-1,2-oxazol-5-yl)ethanamine
SMILESNCCc1cc(C2CCC2)no1
InChIInChI=1S/C9H14N2O/c10-5-4-8-6-9(11-12-8)7-2-1-3-7/h6-7H,1-5,10H2
InChIKeyQKFUKNGJCYVDPF-UHFFFAOYSA-N
XLogP1.44
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.22
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(3-cyclobutyl-1,2-oxazol-5-yl)ethanamine?
The IUPAC name of 2-(3-cyclobutyl-1,2-oxazol-5-yl)ethanamine (CID 83845883) is 2-(3-cyclobutyl-1,2-oxazol-5-yl)ethanamine.
What is the SMILES notation for 2-(3-cyclobutyl-1,2-oxazol-5-yl)ethanamine?
The canonical SMILES for 2-(3-cyclobutyl-1,2-oxazol-5-yl)ethanamine is NCCc1cc(C2CCC2)no1.
What is the InChIKey of 2-(3-cyclobutyl-1,2-oxazol-5-yl)ethanamine?
The InChIKey is QKFUKNGJCYVDPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O/c10-5-4-8-6-9(11-12-8)7-2-1-3-7/h6-7H,1-5,10H2.
What are the key properties of 2-(3-cyclobutyl-1,2-oxazol-5-yl)ethanamine?
2-(3-cyclobutyl-1,2-oxazol-5-yl)ethanamine has a molecular weight of 166.22 g/mol, XLogP of 1.44, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-cyclobutyl-1,2-oxazol-5-yl)ethanamine is sourced from PubChem (CID 83845883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).