3,3,3-trifluoro-1-(1,3-oxazol-5-yl)propan-1-amine

C6H7F3N2O — CID 82409261

IUPAC3,3,3-trifluoro-1-(1,3-oxazol-5-yl)propan-1-amine
SMILESNC(CC(F)(F)F)c1cnco1
InChIInChI=1S/C6H7F3N2O/c7-6(8,9)1-4(10)5-2-11-3-12-5/h2-4H,1,10H2
InChIKeyXGKLEDJVEUOKBL-UHFFFAOYSA-N
MW180.13 g/mol
LogP1.63
Rot. Bonds2

About 3,3,3-trifluoro-1-(1,3-oxazol-5-yl)propan-1-amine

3,3,3-trifluoro-1-(1,3-oxazol-5-yl)propan-1-amine (PubChem CID 82409261) has the molecular formula C6H7F3N2O and a molecular weight of 180.13 g/mol. Its IUPAC name is 3,3,3-trifluoro-1-(1,3-oxazol-5-yl)propan-1-amine.

Molecular Properties

Compound Name3,3,3-trifluoro-1-(1,3-oxazol-5-yl)propan-1-amine
PubChem CID82409261
Molecular FormulaC6H7F3N2O
Molecular Weight180.13 g/mol
Exact Mass180.05
IUPAC Name3,3,3-trifluoro-1-(1,3-oxazol-5-yl)propan-1-amine
SMILESNC(CC(F)(F)F)c1cnco1
InChIInChI=1S/C6H7F3N2O/c7-6(8,9)1-4(10)5-2-11-3-12-5/h2-4H,1,10H2
InChIKeyXGKLEDJVEUOKBL-UHFFFAOYSA-N
XLogP1.63
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.13
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3,3,3-trifluoro-1-(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

Related Compounds

1-(1,3-Oxazol-5-yl)ethan-1-amine dihydrochloride
CID 91812495
5-Heptafluoropropyloxazole
CID 129862291
1-(Oxazol-5-yl)ethanamine
CID 18375760
2-Fluoro-5-propyl-1,3-oxazole
CID 89006930
2-(4,4-Difluoropiperidin-1-yl)-2-(1,3-oxazol-5-yl)ethanamine
CID 118297281
5-(3,3,3-Trifluoropropyl)-1,3-oxazole
CID 145570743
N-methyl-1-(1,3-oxazol-5-yl)cyclopropan-1-amine;2,2,2-trifluoroacetic acid
CID 155255332
N-[2-[5-(3,3,3-trifluoropropyl)-1,3-oxazol-2-yl]ethyl]propan-2-amine
CID 65713024
N-[2-[5-(3,3,3-trifluoropropyl)-1,3-oxazol-2-yl]ethyl]cyclopropanamine
CID 65713025
N-propan-2-yl-3-[5-(3,3,3-trifluoropropyl)-1,3-oxazol-2-yl]propan-1-amine
CID 65713442
[5-(3,3,3-Trifluoropropyl)-1,3-oxazol-2-yl]methanamine
CID 65715254
1-[5-(3,3,3-Trifluoropropyl)-1,3-oxazol-2-yl]ethanamine
CID 65715255

Frequently Asked Questions

What is the IUPAC name of 3,3,3-trifluoro-1-(1,3-oxazol-5-yl)propan-1-amine?
The IUPAC name of 3,3,3-trifluoro-1-(1,3-oxazol-5-yl)propan-1-amine (CID 82409261) is 3,3,3-trifluoro-1-(1,3-oxazol-5-yl)propan-1-amine.
What is the SMILES notation for 3,3,3-trifluoro-1-(1,3-oxazol-5-yl)propan-1-amine?
The canonical SMILES for 3,3,3-trifluoro-1-(1,3-oxazol-5-yl)propan-1-amine is NC(CC(F)(F)F)c1cnco1.
What is the InChIKey of 3,3,3-trifluoro-1-(1,3-oxazol-5-yl)propan-1-amine?
The InChIKey is XGKLEDJVEUOKBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7F3N2O/c7-6(8,9)1-4(10)5-2-11-3-12-5/h2-4H,1,10H2.
What are the key properties of 3,3,3-trifluoro-1-(1,3-oxazol-5-yl)propan-1-amine?
3,3,3-trifluoro-1-(1,3-oxazol-5-yl)propan-1-amine has a molecular weight of 180.13 g/mol, XLogP of 1.63, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,3-trifluoro-1-(1,3-oxazol-5-yl)propan-1-amine is sourced from PubChem (CID 82409261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).