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

C5H7F3N2O — CID 105433652

IUPAC[3-(trifluoromethyl)-4,5-dihydro-1,2-oxazol-5-yl]methanamine
SMILESNCC1CC(C(F)(F)F)=NO1
InChIInChI=1S/C5H7F3N2O/c6-5(7,8)4-1-3(2-9)11-10-4/h3H,1-2,9H2
InChIKeyDVFDZVXCPBWKHI-UHFFFAOYSA-N
MW168.12 g/mol
LogP0.65
Rot. Bonds1

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

[3-(trifluoromethyl)-4,5-dihydro-1,2-oxazol-5-yl]methanamine (PubChem CID 105433652) has the molecular formula C5H7F3N2O and a molecular weight of 168.12 g/mol. Its IUPAC name is [3-(trifluoromethyl)-4,5-dihydro-1,2-oxazol-5-yl]methanamine.

Molecular Properties

Compound Name[3-(trifluoromethyl)-4,5-dihydro-1,2-oxazol-5-yl]methanamine
PubChem CID105433652
Molecular FormulaC5H7F3N2O
Molecular Weight168.12 g/mol
Exact Mass168.05
IUPAC Name[3-(trifluoromethyl)-4,5-dihydro-1,2-oxazol-5-yl]methanamine
SMILESNCC1CC(C(F)(F)F)=NO1
InChIInChI=1S/C5H7F3N2O/c6-5(7,8)4-1-3(2-9)11-10-4/h3H,1-2,9H2
InChIKeyDVFDZVXCPBWKHI-UHFFFAOYSA-N
XLogP0.65
TPSA47.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.12
LogP ≤ 50.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [3-(trifluoromethyl)-4,5-dihydro-1,2-oxazol-5-yl]methanamine?
The IUPAC name of [3-(trifluoromethyl)-4,5-dihydro-1,2-oxazol-5-yl]methanamine (CID 105433652) is [3-(trifluoromethyl)-4,5-dihydro-1,2-oxazol-5-yl]methanamine.
What is the SMILES notation for [3-(trifluoromethyl)-4,5-dihydro-1,2-oxazol-5-yl]methanamine?
The canonical SMILES for [3-(trifluoromethyl)-4,5-dihydro-1,2-oxazol-5-yl]methanamine is NCC1CC(C(F)(F)F)=NO1.
What is the InChIKey of [3-(trifluoromethyl)-4,5-dihydro-1,2-oxazol-5-yl]methanamine?
The InChIKey is DVFDZVXCPBWKHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7F3N2O/c6-5(7,8)4-1-3(2-9)11-10-4/h3H,1-2,9H2.
What are the key properties of [3-(trifluoromethyl)-4,5-dihydro-1,2-oxazol-5-yl]methanamine?
[3-(trifluoromethyl)-4,5-dihydro-1,2-oxazol-5-yl]methanamine has a molecular weight of 168.12 g/mol, XLogP of 0.65, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(trifluoromethyl)-4,5-dihydro-1,2-oxazol-5-yl]methanamine is sourced from PubChem (CID 105433652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).