5-amino-2-(2,2,2-trifluoroethyl)-1,3-oxazole-4-carbonitrile

C6H4F3N3O — CID 66008453

IUPAC5-amino-2-(2,2,2-trifluoroethyl)-1,3-oxazole-4-carbonitrile
SMILESN#Cc1nc(CC(F)(F)F)oc1N
InChIInChI=1S/C6H4F3N3O/c7-6(8,9)1-4-12-3(2-10)5(11)13-4/h1,11H2
InChIKeyACPQMTULJSHLRX-UHFFFAOYSA-N
MW191.11 g/mol
LogP1.23
Rot. Bonds1

About 5-amino-2-(2,2,2-trifluoroethyl)-1,3-oxazole-4-carbonitrile

5-amino-2-(2,2,2-trifluoroethyl)-1,3-oxazole-4-carbonitrile (PubChem CID 66008453) has the molecular formula C6H4F3N3O and a molecular weight of 191.11 g/mol. Its IUPAC name is 5-amino-2-(2,2,2-trifluoroethyl)-1,3-oxazole-4-carbonitrile.

Molecular Properties

Compound Name5-amino-2-(2,2,2-trifluoroethyl)-1,3-oxazole-4-carbonitrile
PubChem CID66008453
Molecular FormulaC6H4F3N3O
Molecular Weight191.11 g/mol
Exact Mass191.03
IUPAC Name5-amino-2-(2,2,2-trifluoroethyl)-1,3-oxazole-4-carbonitrile
SMILESN#Cc1nc(CC(F)(F)F)oc1N
InChIInChI=1S/C6H4F3N3O/c7-6(8,9)1-4-12-3(2-10)5(11)13-4/h1,11H2
InChIKeyACPQMTULJSHLRX-UHFFFAOYSA-N
XLogP1.23
TPSA75.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.11
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-amino-2-(2,2,2-trifluoroethyl)-1,3-oxazole-4-carbonitrile?
The IUPAC name of 5-amino-2-(2,2,2-trifluoroethyl)-1,3-oxazole-4-carbonitrile (CID 66008453) is 5-amino-2-(2,2,2-trifluoroethyl)-1,3-oxazole-4-carbonitrile.
What is the SMILES notation for 5-amino-2-(2,2,2-trifluoroethyl)-1,3-oxazole-4-carbonitrile?
The canonical SMILES for 5-amino-2-(2,2,2-trifluoroethyl)-1,3-oxazole-4-carbonitrile is N#Cc1nc(CC(F)(F)F)oc1N.
What is the InChIKey of 5-amino-2-(2,2,2-trifluoroethyl)-1,3-oxazole-4-carbonitrile?
The InChIKey is ACPQMTULJSHLRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4F3N3O/c7-6(8,9)1-4-12-3(2-10)5(11)13-4/h1,11H2.
What are the key properties of 5-amino-2-(2,2,2-trifluoroethyl)-1,3-oxazole-4-carbonitrile?
5-amino-2-(2,2,2-trifluoroethyl)-1,3-oxazole-4-carbonitrile has a molecular weight of 191.11 g/mol, XLogP of 1.23, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-(2,2,2-trifluoroethyl)-1,3-oxazole-4-carbonitrile is sourced from PubChem (CID 66008453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).