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

C12H11N3O2 — CID 117330160

IUPAC5-[3-(4,5-dihydro-1,3-oxazol-2-yl)phenyl]-1,2-oxazol-3-amine
SMILESNc1cc(-c2cccc(C3=NCCO3)c2)on1
InChIInChI=1S/C12H11N3O2/c13-11-7-10(17-15-11)8-2-1-3-9(6-8)12-14-4-5-16-12/h1-3,6-7H,4-5H2,(H2,13,15)
InChIKeyOEQZIVHVGGUXBW-UHFFFAOYSA-N
MW229.24 g/mol
LogP1.70
Rot. Bonds2

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

5-[3-(4,5-dihydro-1,3-oxazol-2-yl)phenyl]-1,2-oxazol-3-amine (PubChem CID 117330160) has the molecular formula C12H11N3O2 and a molecular weight of 229.24 g/mol. Its IUPAC name is 5-[3-(4,5-dihydro-1,3-oxazol-2-yl)phenyl]-1,2-oxazol-3-amine.

Molecular Properties

Compound Name5-[3-(4,5-dihydro-1,3-oxazol-2-yl)phenyl]-1,2-oxazol-3-amine
PubChem CID117330160
Molecular FormulaC12H11N3O2
Molecular Weight229.24 g/mol
Exact Mass229.09
IUPAC Name5-[3-(4,5-dihydro-1,3-oxazol-2-yl)phenyl]-1,2-oxazol-3-amine
SMILESNc1cc(-c2cccc(C3=NCCO3)c2)on1
InChIInChI=1S/C12H11N3O2/c13-11-7-10(17-15-11)8-2-1-3-9(6-8)12-14-4-5-16-12/h1-3,6-7H,4-5H2,(H2,13,15)
InChIKeyOEQZIVHVGGUXBW-UHFFFAOYSA-N
XLogP1.70
TPSA73.64 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.24
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 5-[3-(4,5-dihydro-1,3-oxazol-2-yl)phenyl]-1,2-oxazol-3-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 5-[3-(4,5-dihydro-1,3-oxazol-2-yl)phenyl]-1,2-oxazol-3-amine?
The IUPAC name of 5-[3-(4,5-dihydro-1,3-oxazol-2-yl)phenyl]-1,2-oxazol-3-amine (CID 117330160) is 5-[3-(4,5-dihydro-1,3-oxazol-2-yl)phenyl]-1,2-oxazol-3-amine.
What is the SMILES notation for 5-[3-(4,5-dihydro-1,3-oxazol-2-yl)phenyl]-1,2-oxazol-3-amine?
The canonical SMILES for 5-[3-(4,5-dihydro-1,3-oxazol-2-yl)phenyl]-1,2-oxazol-3-amine is Nc1cc(-c2cccc(C3=NCCO3)c2)on1.
What is the InChIKey of 5-[3-(4,5-dihydro-1,3-oxazol-2-yl)phenyl]-1,2-oxazol-3-amine?
The InChIKey is OEQZIVHVGGUXBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N3O2/c13-11-7-10(17-15-11)8-2-1-3-9(6-8)12-14-4-5-16-12/h1-3,6-7H,4-5H2,(H2,13,15).
What are the key properties of 5-[3-(4,5-dihydro-1,3-oxazol-2-yl)phenyl]-1,2-oxazol-3-amine?
5-[3-(4,5-dihydro-1,3-oxazol-2-yl)phenyl]-1,2-oxazol-3-amine has a molecular weight of 229.24 g/mol, XLogP of 1.70, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(4,5-dihydro-1,3-oxazol-2-yl)phenyl]-1,2-oxazol-3-amine is sourced from PubChem (CID 117330160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).