1-[3-(3,5-difluorophenyl)-1,2-oxazol-5-yl]propan-1-amine

C12H12F2N2O — CID 106224117

IUPAC1-[3-(3,5-difluorophenyl)-1,2-oxazol-5-yl]propan-1-amine
SMILESCCC(N)c1cc(-c2cc(F)cc(F)c2)no1
InChIInChI=1S/C12H12F2N2O/c1-2-10(15)12-6-11(16-17-12)7-3-8(13)5-9(14)4-7/h3-6,10H,2,15H2,1H3
InChIKeyUXBYYHRVALYUFK-UHFFFAOYSA-N
MW238.24 g/mol
LogP3.03
Rot. Bonds3

About 1-[3-(3,5-difluorophenyl)-1,2-oxazol-5-yl]propan-1-amine

1-[3-(3,5-difluorophenyl)-1,2-oxazol-5-yl]propan-1-amine (PubChem CID 106224117) has the molecular formula C12H12F2N2O and a molecular weight of 238.24 g/mol. Its IUPAC name is 1-[3-(3,5-difluorophenyl)-1,2-oxazol-5-yl]propan-1-amine.

Molecular Properties

Compound Name1-[3-(3,5-difluorophenyl)-1,2-oxazol-5-yl]propan-1-amine
PubChem CID106224117
Molecular FormulaC12H12F2N2O
Molecular Weight238.24 g/mol
Exact Mass238.09
IUPAC Name1-[3-(3,5-difluorophenyl)-1,2-oxazol-5-yl]propan-1-amine
SMILESCCC(N)c1cc(-c2cc(F)cc(F)c2)no1
InChIInChI=1S/C12H12F2N2O/c1-2-10(15)12-6-11(16-17-12)7-3-8(13)5-9(14)4-7/h3-6,10H,2,15H2,1H3
InChIKeyUXBYYHRVALYUFK-UHFFFAOYSA-N
XLogP3.03
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.24
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-[3-(3,5-difluorophenyl)-1,2-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 1-[3-(3,5-difluorophenyl)-1,2-oxazol-5-yl]propan-1-amine?
The IUPAC name of 1-[3-(3,5-difluorophenyl)-1,2-oxazol-5-yl]propan-1-amine (CID 106224117) is 1-[3-(3,5-difluorophenyl)-1,2-oxazol-5-yl]propan-1-amine.
What is the SMILES notation for 1-[3-(3,5-difluorophenyl)-1,2-oxazol-5-yl]propan-1-amine?
The canonical SMILES for 1-[3-(3,5-difluorophenyl)-1,2-oxazol-5-yl]propan-1-amine is CCC(N)c1cc(-c2cc(F)cc(F)c2)no1.
What is the InChIKey of 1-[3-(3,5-difluorophenyl)-1,2-oxazol-5-yl]propan-1-amine?
The InChIKey is UXBYYHRVALYUFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12F2N2O/c1-2-10(15)12-6-11(16-17-12)7-3-8(13)5-9(14)4-7/h3-6,10H,2,15H2,1H3.
What are the key properties of 1-[3-(3,5-difluorophenyl)-1,2-oxazol-5-yl]propan-1-amine?
1-[3-(3,5-difluorophenyl)-1,2-oxazol-5-yl]propan-1-amine has a molecular weight of 238.24 g/mol, XLogP of 3.03, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(3,5-difluorophenyl)-1,2-oxazol-5-yl]propan-1-amine is sourced from PubChem (CID 106224117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).