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

C5H7F3N2O — CID 124681358

IUPAC[(5S)-3-(trifluoromethyl)-4,5-dihydro-1,2-oxazol-5-yl]methanamine
SMILESNC[C@@H]1CC(C(F)(F)F)=NO1
InChIInChI=1S/C5H7F3N2O/c6-5(7,8)4-1-3(2-9)11-10-4/h3H,1-2,9H2/t3-/m0/s1
InChIKeyDVFDZVXCPBWKHI-VKHMYHEASA-N
MW168.12 g/mol
LogP0.65
Rot. Bonds1

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

[(5S)-3-(trifluoromethyl)-4,5-dihydro-1,2-oxazol-5-yl]methanamine (PubChem CID 124681358) has the molecular formula C5H7F3N2O and a molecular weight of 168.12 g/mol. Its IUPAC name is [(5S)-3-(trifluoromethyl)-4,5-dihydro-1,2-oxazol-5-yl]methanamine.

Molecular Properties

Compound Name[(5S)-3-(trifluoromethyl)-4,5-dihydro-1,2-oxazol-5-yl]methanamine
PubChem CID124681358
Molecular FormulaC5H7F3N2O
Molecular Weight168.12 g/mol
Exact Mass168.05
IUPAC Name[(5S)-3-(trifluoromethyl)-4,5-dihydro-1,2-oxazol-5-yl]methanamine
SMILESNC[C@@H]1CC(C(F)(F)F)=NO1
InChIInChI=1S/C5H7F3N2O/c6-5(7,8)4-1-3(2-9)11-10-4/h3H,1-2,9H2/t3-/m0/s1
InChIKeyDVFDZVXCPBWKHI-VKHMYHEASA-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 [(5S)-3-(trifluoromethyl)-4,5-dihydro-1,2-oxazol-5-yl]methanamine?
The IUPAC name of [(5S)-3-(trifluoromethyl)-4,5-dihydro-1,2-oxazol-5-yl]methanamine (CID 124681358) is [(5S)-3-(trifluoromethyl)-4,5-dihydro-1,2-oxazol-5-yl]methanamine.
What is the SMILES notation for [(5S)-3-(trifluoromethyl)-4,5-dihydro-1,2-oxazol-5-yl]methanamine?
The canonical SMILES for [(5S)-3-(trifluoromethyl)-4,5-dihydro-1,2-oxazol-5-yl]methanamine is NC[C@@H]1CC(C(F)(F)F)=NO1.
What is the InChIKey of [(5S)-3-(trifluoromethyl)-4,5-dihydro-1,2-oxazol-5-yl]methanamine?
The InChIKey is DVFDZVXCPBWKHI-VKHMYHEASA-N. The full InChI is InChI=1S/C5H7F3N2O/c6-5(7,8)4-1-3(2-9)11-10-4/h3H,1-2,9H2/t3-/m0/s1.
What are the key properties of [(5S)-3-(trifluoromethyl)-4,5-dihydro-1,2-oxazol-5-yl]methanamine?
[(5S)-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 [(5S)-3-(trifluoromethyl)-4,5-dihydro-1,2-oxazol-5-yl]methanamine is sourced from PubChem (CID 124681358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).