4-(trifluoromethyl)-5H-1,2-oxazol-2-amine

C4H5F3N2O — CID 118468054

IUPAC4-(trifluoromethyl)-5H-1,2-oxazol-2-amine
SMILESNN1C=C(C(F)(F)F)CO1
InChIInChI=1S/C4H5F3N2O/c5-4(6,7)3-1-9(8)10-2-3/h1H,2,8H2
InChIKeyZKLQMLPRMCRHAB-UHFFFAOYSA-N
MW154.09 g/mol
LogP0.55
Rot. Bonds

About 4-(trifluoromethyl)-5H-1,2-oxazol-2-amine

4-(trifluoromethyl)-5H-1,2-oxazol-2-amine (PubChem CID 118468054) has the molecular formula C4H5F3N2O and a molecular weight of 154.09 g/mol. Its IUPAC name is 4-(trifluoromethyl)-5H-1,2-oxazol-2-amine.

Molecular Properties

Compound Name4-(trifluoromethyl)-5H-1,2-oxazol-2-amine
PubChem CID118468054
Molecular FormulaC4H5F3N2O
Molecular Weight154.09 g/mol
Exact Mass154.04
IUPAC Name4-(trifluoromethyl)-5H-1,2-oxazol-2-amine
SMILESNN1C=C(C(F)(F)F)CO1
InChIInChI=1S/C4H5F3N2O/c5-4(6,7)3-1-9(8)10-2-3/h1H,2,8H2
InChIKeyZKLQMLPRMCRHAB-UHFFFAOYSA-N
XLogP0.55
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.09
LogP ≤ 50.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(trifluoromethyl)-5H-1,2-oxazol-2-amine?
The IUPAC name of 4-(trifluoromethyl)-5H-1,2-oxazol-2-amine (CID 118468054) is 4-(trifluoromethyl)-5H-1,2-oxazol-2-amine.
What is the SMILES notation for 4-(trifluoromethyl)-5H-1,2-oxazol-2-amine?
The canonical SMILES for 4-(trifluoromethyl)-5H-1,2-oxazol-2-amine is NN1C=C(C(F)(F)F)CO1.
What is the InChIKey of 4-(trifluoromethyl)-5H-1,2-oxazol-2-amine?
The InChIKey is ZKLQMLPRMCRHAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H5F3N2O/c5-4(6,7)3-1-9(8)10-2-3/h1H,2,8H2.
What are the key properties of 4-(trifluoromethyl)-5H-1,2-oxazol-2-amine?
4-(trifluoromethyl)-5H-1,2-oxazol-2-amine has a molecular weight of 154.09 g/mol, XLogP of 0.55, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(trifluoromethyl)-5H-1,2-oxazol-2-amine is sourced from PubChem (CID 118468054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).