[2-(4,5-dihydro-1,3-oxazol-2-yl)phenyl]methanamine

C10H12N2O — CID 84655556

IUPAC[2-(4,5-dihydro-1,3-oxazol-2-yl)phenyl]methanamine
SMILESNCc1ccccc1C1=NCCO1
InChIInChI=1S/C10H12N2O/c11-7-8-3-1-2-4-9(8)10-12-5-6-13-10/h1-4H,5-7,11H2
InChIKeyOIKJRCSRVIMCOD-UHFFFAOYSA-N
MW176.22 g/mol
LogP0.92
Rot. Bonds2

About [2-(4,5-dihydro-1,3-oxazol-2-yl)phenyl]methanamine

[2-(4,5-dihydro-1,3-oxazol-2-yl)phenyl]methanamine (PubChem CID 84655556) has the molecular formula C10H12N2O and a molecular weight of 176.22 g/mol. Its IUPAC name is [2-(4,5-dihydro-1,3-oxazol-2-yl)phenyl]methanamine.

Molecular Properties

Compound Name[2-(4,5-dihydro-1,3-oxazol-2-yl)phenyl]methanamine
PubChem CID84655556
Molecular FormulaC10H12N2O
Molecular Weight176.22 g/mol
Exact Mass176.09
IUPAC Name[2-(4,5-dihydro-1,3-oxazol-2-yl)phenyl]methanamine
SMILESNCc1ccccc1C1=NCCO1
InChIInChI=1S/C10H12N2O/c11-7-8-3-1-2-4-9(8)10-12-5-6-13-10/h1-4H,5-7,11H2
InChIKeyOIKJRCSRVIMCOD-UHFFFAOYSA-N
XLogP0.92
TPSA47.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.22
LogP ≤ 50.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [2-(4,5-dihydro-1,3-oxazol-2-yl)phenyl]methanamine 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 [2-(4,5-dihydro-1,3-oxazol-2-yl)phenyl]methanamine?
The IUPAC name of [2-(4,5-dihydro-1,3-oxazol-2-yl)phenyl]methanamine (CID 84655556) is [2-(4,5-dihydro-1,3-oxazol-2-yl)phenyl]methanamine.
What is the SMILES notation for [2-(4,5-dihydro-1,3-oxazol-2-yl)phenyl]methanamine?
The canonical SMILES for [2-(4,5-dihydro-1,3-oxazol-2-yl)phenyl]methanamine is NCc1ccccc1C1=NCCO1.
What is the InChIKey of [2-(4,5-dihydro-1,3-oxazol-2-yl)phenyl]methanamine?
The InChIKey is OIKJRCSRVIMCOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O/c11-7-8-3-1-2-4-9(8)10-12-5-6-13-10/h1-4H,5-7,11H2.
What are the key properties of [2-(4,5-dihydro-1,3-oxazol-2-yl)phenyl]methanamine?
[2-(4,5-dihydro-1,3-oxazol-2-yl)phenyl]methanamine has a molecular weight of 176.22 g/mol, XLogP of 0.92, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4,5-dihydro-1,3-oxazol-2-yl)phenyl]methanamine is sourced from PubChem (CID 84655556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).