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

C12H15FN2O — CID 115061055

IUPAC3-[2-(4-fluorophenyl)-4,5-dihydro-1,3-oxazol-4-yl]propan-1-amine
SMILESNCCCC1COC(c2ccc(F)cc2)=N1
InChIInChI=1S/C12H15FN2O/c13-10-5-3-9(4-6-10)12-15-11(8-16-12)2-1-7-14/h3-6,11H,1-2,7-8,14H2
InChIKeyIVKYMIJKGBNOSZ-UHFFFAOYSA-N
MW222.26 g/mol
LogP1.71
Rot. Bonds4

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

3-[2-(4-fluorophenyl)-4,5-dihydro-1,3-oxazol-4-yl]propan-1-amine (PubChem CID 115061055) has the molecular formula C12H15FN2O and a molecular weight of 222.26 g/mol. Its IUPAC name is 3-[2-(4-fluorophenyl)-4,5-dihydro-1,3-oxazol-4-yl]propan-1-amine.

Molecular Properties

Compound Name3-[2-(4-fluorophenyl)-4,5-dihydro-1,3-oxazol-4-yl]propan-1-amine
PubChem CID115061055
Molecular FormulaC12H15FN2O
Molecular Weight222.26 g/mol
Exact Mass222.12
IUPAC Name3-[2-(4-fluorophenyl)-4,5-dihydro-1,3-oxazol-4-yl]propan-1-amine
SMILESNCCCC1COC(c2ccc(F)cc2)=N1
InChIInChI=1S/C12H15FN2O/c13-10-5-3-9(4-6-10)12-15-11(8-16-12)2-1-7-14/h3-6,11H,1-2,7-8,14H2
InChIKeyIVKYMIJKGBNOSZ-UHFFFAOYSA-N
XLogP1.71
TPSA47.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.26
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-[2-(4-fluorophenyl)-4,5-dihydro-1,3-oxazol-4-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-[2-(4-fluorophenyl)-4,5-dihydro-1,3-oxazol-4-yl]propan-1-amine?
The IUPAC name of 3-[2-(4-fluorophenyl)-4,5-dihydro-1,3-oxazol-4-yl]propan-1-amine (CID 115061055) is 3-[2-(4-fluorophenyl)-4,5-dihydro-1,3-oxazol-4-yl]propan-1-amine.
What is the SMILES notation for 3-[2-(4-fluorophenyl)-4,5-dihydro-1,3-oxazol-4-yl]propan-1-amine?
The canonical SMILES for 3-[2-(4-fluorophenyl)-4,5-dihydro-1,3-oxazol-4-yl]propan-1-amine is NCCCC1COC(c2ccc(F)cc2)=N1.
What is the InChIKey of 3-[2-(4-fluorophenyl)-4,5-dihydro-1,3-oxazol-4-yl]propan-1-amine?
The InChIKey is IVKYMIJKGBNOSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15FN2O/c13-10-5-3-9(4-6-10)12-15-11(8-16-12)2-1-7-14/h3-6,11H,1-2,7-8,14H2.
What are the key properties of 3-[2-(4-fluorophenyl)-4,5-dihydro-1,3-oxazol-4-yl]propan-1-amine?
3-[2-(4-fluorophenyl)-4,5-dihydro-1,3-oxazol-4-yl]propan-1-amine has a molecular weight of 222.26 g/mol, XLogP of 1.71, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(4-fluorophenyl)-4,5-dihydro-1,3-oxazol-4-yl]propan-1-amine is sourced from PubChem (CID 115061055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).