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

C4H3F3N2O — CID 66442230

IUPAC5-(trifluoromethyl)-1,2-oxazol-4-amine
SMILESNc1cnoc1C(F)(F)F
InChIInChI=1S/C4H3F3N2O/c5-4(6,7)3-2(8)1-9-10-3/h1H,8H2
InChIKeyQNBHSOIRDLHPAB-UHFFFAOYSA-N
MW152.08 g/mol
LogP1.28
Rot. Bonds

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

5-(trifluoromethyl)-1,2-oxazol-4-amine (PubChem CID 66442230) has the molecular formula C4H3F3N2O and a molecular weight of 152.08 g/mol. Its IUPAC name is 5-(trifluoromethyl)-1,2-oxazol-4-amine.

Molecular Properties

Compound Name5-(trifluoromethyl)-1,2-oxazol-4-amine
PubChem CID66442230
Molecular FormulaC4H3F3N2O
Molecular Weight152.08 g/mol
Exact Mass152.02
IUPAC Name5-(trifluoromethyl)-1,2-oxazol-4-amine
SMILESNc1cnoc1C(F)(F)F
InChIInChI=1S/C4H3F3N2O/c5-4(6,7)3-2(8)1-9-10-3/h1H,8H2
InChIKeyQNBHSOIRDLHPAB-UHFFFAOYSA-N
XLogP1.28
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.08
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,2,2-trifluoro-N-(5-methyl-1,2-oxazol-4-yl)acetamide
CID 13483370
5-Methyl-1,2-oxazol-4-amine hydrochloride
CID 13033203
5-Methyl-1,2-oxazol-4-amine
CID 13033202
5-Methyl-4-nitroisoxazole
CID 12825780
5-methyl-N-(2,2,2-trifluoroethyl)-1,2-oxazol-4-amine
CID 69833849
5-(Difluoromethyl)isoxazol-4-amine
CID 66442231
4-Isocyanato-5-(trifluoromethyl)-1,2-oxazole
CID 83914858
5-(2,2,3,3,3-Pentafluoropropyl)-1,2-oxazol-4-amine
CID 165630626
5-(2,2,2-Trifluoroethyl)-1,2-oxazol-4-amine
CID 165653900
5-(2-Fluoroethyl)-1,2-oxazol-4-amine
CID 165654004
5-(3,3,3-Trifluoropropyl)-1,2-oxazol-4-amine
CID 165659648
5-(1,1,2,2,2-Pentafluoroethyl)-1,2-oxazol-4-amine
CID 165669540

Frequently Asked Questions

What is the IUPAC name of 5-(trifluoromethyl)-1,2-oxazol-4-amine?
The IUPAC name of 5-(trifluoromethyl)-1,2-oxazol-4-amine (CID 66442230) is 5-(trifluoromethyl)-1,2-oxazol-4-amine.
What is the SMILES notation for 5-(trifluoromethyl)-1,2-oxazol-4-amine?
The canonical SMILES for 5-(trifluoromethyl)-1,2-oxazol-4-amine is Nc1cnoc1C(F)(F)F.
What is the InChIKey of 5-(trifluoromethyl)-1,2-oxazol-4-amine?
The InChIKey is QNBHSOIRDLHPAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H3F3N2O/c5-4(6,7)3-2(8)1-9-10-3/h1H,8H2.
What are the key properties of 5-(trifluoromethyl)-1,2-oxazol-4-amine?
5-(trifluoromethyl)-1,2-oxazol-4-amine has a molecular weight of 152.08 g/mol, XLogP of 1.28, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(trifluoromethyl)-1,2-oxazol-4-amine is sourced from PubChem (CID 66442230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).