5-(difluoromethyl)-1,2-oxazol-4-amine

C4H4F2N2O — CID 66442231

IUPAC5-(difluoromethyl)-1,2-oxazol-4-amine
SMILESNc1cnoc1C(F)F
InChIInChI=1S/C4H4F2N2O/c5-4(6)3-2(7)1-8-9-3/h1,4H,7H2
InChIKeyJSWLQCUTNCSXPM-UHFFFAOYSA-N
MW134.09 g/mol
LogP1.19
Rot. Bonds1

About 5-(difluoromethyl)-1,2-oxazol-4-amine

5-(difluoromethyl)-1,2-oxazol-4-amine (PubChem CID 66442231) has the molecular formula C4H4F2N2O and a molecular weight of 134.09 g/mol. Its IUPAC name is 5-(difluoromethyl)-1,2-oxazol-4-amine.

Molecular Properties

Compound Name5-(difluoromethyl)-1,2-oxazol-4-amine
PubChem CID66442231
Molecular FormulaC4H4F2N2O
Molecular Weight134.09 g/mol
Exact Mass134.03
IUPAC Name5-(difluoromethyl)-1,2-oxazol-4-amine
SMILESNc1cnoc1C(F)F
InChIInChI=1S/C4H4F2N2O/c5-4(6)3-2(7)1-8-9-3/h1,4H,7H2
InChIKeyJSWLQCUTNCSXPM-UHFFFAOYSA-N
XLogP1.19
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500134.09
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 5-(difluoromethyl)-1,2-oxazol-4-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 5-(difluoromethyl)-1,2-oxazol-4-amine?
The IUPAC name of 5-(difluoromethyl)-1,2-oxazol-4-amine (CID 66442231) is 5-(difluoromethyl)-1,2-oxazol-4-amine.
What is the SMILES notation for 5-(difluoromethyl)-1,2-oxazol-4-amine?
The canonical SMILES for 5-(difluoromethyl)-1,2-oxazol-4-amine is Nc1cnoc1C(F)F.
What is the InChIKey of 5-(difluoromethyl)-1,2-oxazol-4-amine?
The InChIKey is JSWLQCUTNCSXPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H4F2N2O/c5-4(6)3-2(7)1-8-9-3/h1,4H,7H2.
What are the key properties of 5-(difluoromethyl)-1,2-oxazol-4-amine?
5-(difluoromethyl)-1,2-oxazol-4-amine has a molecular weight of 134.09 g/mol, XLogP of 1.19, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(difluoromethyl)-1,2-oxazol-4-amine is sourced from PubChem (CID 66442231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).