3-(4-ethyl-2-methyl-1,3-oxazol-5-yl)propan-1-amine

C9H16N2O — CID 82413180

IUPAC3-(4-ethyl-2-methyl-1,3-oxazol-5-yl)propan-1-amine
SMILESCCc1nc(C)oc1CCCN
InChIInChI=1S/C9H16N2O/c1-3-8-9(5-4-6-10)12-7(2)11-8/h3-6,10H2,1-2H3
InChIKeyNKKAIZDSWCIINW-UHFFFAOYSA-N
MW168.24 g/mol
LogP1.44
Rot. Bonds4

About 3-(4-ethyl-2-methyl-1,3-oxazol-5-yl)propan-1-amine

3-(4-ethyl-2-methyl-1,3-oxazol-5-yl)propan-1-amine (PubChem CID 82413180) has the molecular formula C9H16N2O and a molecular weight of 168.24 g/mol. Its IUPAC name is 3-(4-ethyl-2-methyl-1,3-oxazol-5-yl)propan-1-amine.

Molecular Properties

Compound Name3-(4-ethyl-2-methyl-1,3-oxazol-5-yl)propan-1-amine
PubChem CID82413180
Molecular FormulaC9H16N2O
Molecular Weight168.24 g/mol
Exact Mass168.13
IUPAC Name3-(4-ethyl-2-methyl-1,3-oxazol-5-yl)propan-1-amine
SMILESCCc1nc(C)oc1CCCN
InChIInChI=1S/C9H16N2O/c1-3-8-9(5-4-6-10)12-7(2)11-8/h3-6,10H2,1-2H3
InChIKeyNKKAIZDSWCIINW-UHFFFAOYSA-N
XLogP1.44
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.24
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-(4-ethyl-2-methyl-1,3-oxazol-5-yl)propan-1-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 3-(4-ethyl-2-methyl-1,3-oxazol-5-yl)propan-1-amine?
The IUPAC name of 3-(4-ethyl-2-methyl-1,3-oxazol-5-yl)propan-1-amine (CID 82413180) is 3-(4-ethyl-2-methyl-1,3-oxazol-5-yl)propan-1-amine.
What is the SMILES notation for 3-(4-ethyl-2-methyl-1,3-oxazol-5-yl)propan-1-amine?
The canonical SMILES for 3-(4-ethyl-2-methyl-1,3-oxazol-5-yl)propan-1-amine is CCc1nc(C)oc1CCCN.
What is the InChIKey of 3-(4-ethyl-2-methyl-1,3-oxazol-5-yl)propan-1-amine?
The InChIKey is NKKAIZDSWCIINW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O/c1-3-8-9(5-4-6-10)12-7(2)11-8/h3-6,10H2,1-2H3.
What are the key properties of 3-(4-ethyl-2-methyl-1,3-oxazol-5-yl)propan-1-amine?
3-(4-ethyl-2-methyl-1,3-oxazol-5-yl)propan-1-amine has a molecular weight of 168.24 g/mol, XLogP of 1.44, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-ethyl-2-methyl-1,3-oxazol-5-yl)propan-1-amine is sourced from PubChem (CID 82413180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).