5-(1,1,1-trifluoro-2-methylpropan-2-yl)-1,2-oxazol-3-amine

C7H9F3N2O — CID 56954313

IUPAC5-(1,1,1-trifluoro-2-methylpropan-2-yl)-1,2-oxazol-3-amine
SMILESCC(C)(c1cc(N)no1)C(F)(F)F
InChIInChI=1S/C7H9F3N2O/c1-6(2,7(8,9)10)4-3-5(11)12-13-4/h3H,1-2H3,(H2,11,12)
InChIKeyTWCGWZZURUKYJS-UHFFFAOYSA-N
MW194.16 g/mol
LogP2.10
Rot. Bonds1

About 5-(1,1,1-trifluoro-2-methylpropan-2-yl)-1,2-oxazol-3-amine

5-(1,1,1-trifluoro-2-methylpropan-2-yl)-1,2-oxazol-3-amine (PubChem CID 56954313) has the molecular formula C7H9F3N2O and a molecular weight of 194.16 g/mol. Its IUPAC name is 5-(1,1,1-trifluoro-2-methylpropan-2-yl)-1,2-oxazol-3-amine.

Molecular Properties

Compound Name5-(1,1,1-trifluoro-2-methylpropan-2-yl)-1,2-oxazol-3-amine
PubChem CID56954313
Molecular FormulaC7H9F3N2O
Molecular Weight194.16 g/mol
Exact Mass194.07
IUPAC Name5-(1,1,1-trifluoro-2-methylpropan-2-yl)-1,2-oxazol-3-amine
SMILESCC(C)(c1cc(N)no1)C(F)(F)F
InChIInChI=1S/C7H9F3N2O/c1-6(2,7(8,9)10)4-3-5(11)12-13-4/h3H,1-2H3,(H2,11,12)
InChIKeyTWCGWZZURUKYJS-UHFFFAOYSA-N
XLogP2.10
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.16
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(1,1,1-trifluoro-2-methylpropan-2-yl)-1,2-oxazol-3-amine?
The IUPAC name of 5-(1,1,1-trifluoro-2-methylpropan-2-yl)-1,2-oxazol-3-amine (CID 56954313) is 5-(1,1,1-trifluoro-2-methylpropan-2-yl)-1,2-oxazol-3-amine.
What is the SMILES notation for 5-(1,1,1-trifluoro-2-methylpropan-2-yl)-1,2-oxazol-3-amine?
The canonical SMILES for 5-(1,1,1-trifluoro-2-methylpropan-2-yl)-1,2-oxazol-3-amine is CC(C)(c1cc(N)no1)C(F)(F)F.
What is the InChIKey of 5-(1,1,1-trifluoro-2-methylpropan-2-yl)-1,2-oxazol-3-amine?
The InChIKey is TWCGWZZURUKYJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9F3N2O/c1-6(2,7(8,9)10)4-3-5(11)12-13-4/h3H,1-2H3,(H2,11,12).
What are the key properties of 5-(1,1,1-trifluoro-2-methylpropan-2-yl)-1,2-oxazol-3-amine?
5-(1,1,1-trifluoro-2-methylpropan-2-yl)-1,2-oxazol-3-amine has a molecular weight of 194.16 g/mol, XLogP of 2.10, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1,1,1-trifluoro-2-methylpropan-2-yl)-1,2-oxazol-3-amine is sourced from PubChem (CID 56954313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).