1-[3-(2-methylpropyl)-1,2-oxazol-5-yl]ethanamine

C9H16N2O — CID 114420316

IUPAC1-[3-(2-methylpropyl)-1,2-oxazol-5-yl]ethanamine
SMILESCC(C)Cc1cc(C(C)N)on1
InChIInChI=1S/C9H16N2O/c1-6(2)4-8-5-9(7(3)10)12-11-8/h5-7H,4,10H2,1-3H3
InChIKeyLFOFXUYDKSLQHA-UHFFFAOYSA-N
MW168.24 g/mol
LogP1.89
Rot. Bonds3

About 1-[3-(2-methylpropyl)-1,2-oxazol-5-yl]ethanamine

1-[3-(2-methylpropyl)-1,2-oxazol-5-yl]ethanamine (PubChem CID 114420316) has the molecular formula C9H16N2O and a molecular weight of 168.24 g/mol. Its IUPAC name is 1-[3-(2-methylpropyl)-1,2-oxazol-5-yl]ethanamine.

Molecular Properties

Compound Name1-[3-(2-methylpropyl)-1,2-oxazol-5-yl]ethanamine
PubChem CID114420316
Molecular FormulaC9H16N2O
Molecular Weight168.24 g/mol
Exact Mass168.13
IUPAC Name1-[3-(2-methylpropyl)-1,2-oxazol-5-yl]ethanamine
SMILESCC(C)Cc1cc(C(C)N)on1
InChIInChI=1S/C9H16N2O/c1-6(2)4-8-5-9(7(3)10)12-11-8/h5-7H,4,10H2,1-3H3
InChIKeyLFOFXUYDKSLQHA-UHFFFAOYSA-N
XLogP1.89
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.24
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(2-methylpropyl)-1,2-oxazol-5-yl]ethanamine?
The IUPAC name of 1-[3-(2-methylpropyl)-1,2-oxazol-5-yl]ethanamine (CID 114420316) is 1-[3-(2-methylpropyl)-1,2-oxazol-5-yl]ethanamine.
What is the SMILES notation for 1-[3-(2-methylpropyl)-1,2-oxazol-5-yl]ethanamine?
The canonical SMILES for 1-[3-(2-methylpropyl)-1,2-oxazol-5-yl]ethanamine is CC(C)Cc1cc(C(C)N)on1.
What is the InChIKey of 1-[3-(2-methylpropyl)-1,2-oxazol-5-yl]ethanamine?
The InChIKey is LFOFXUYDKSLQHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O/c1-6(2)4-8-5-9(7(3)10)12-11-8/h5-7H,4,10H2,1-3H3.
What are the key properties of 1-[3-(2-methylpropyl)-1,2-oxazol-5-yl]ethanamine?
1-[3-(2-methylpropyl)-1,2-oxazol-5-yl]ethanamine has a molecular weight of 168.24 g/mol, XLogP of 1.89, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(2-methylpropyl)-1,2-oxazol-5-yl]ethanamine is sourced from PubChem (CID 114420316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).