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

C7H6F3N3O — CID 66010111

IUPAC5-amino-2-(3,3,3-trifluoropropyl)-1,3-oxazole-4-carbonitrile
SMILESN#Cc1nc(CCC(F)(F)F)oc1N
InChIInChI=1S/C7H6F3N3O/c8-7(9,10)2-1-5-13-4(3-11)6(12)14-5/h1-2,12H2
InChIKeyMLYOIBSPKSAVBM-UHFFFAOYSA-N
MW205.14 g/mol
LogP1.62
Rot. Bonds2

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

5-amino-2-(3,3,3-trifluoropropyl)-1,3-oxazole-4-carbonitrile (PubChem CID 66010111) has the molecular formula C7H6F3N3O and a molecular weight of 205.14 g/mol. Its IUPAC name is 5-amino-2-(3,3,3-trifluoropropyl)-1,3-oxazole-4-carbonitrile.

Molecular Properties

Compound Name5-amino-2-(3,3,3-trifluoropropyl)-1,3-oxazole-4-carbonitrile
PubChem CID66010111
Molecular FormulaC7H6F3N3O
Molecular Weight205.14 g/mol
Exact Mass205.05
IUPAC Name5-amino-2-(3,3,3-trifluoropropyl)-1,3-oxazole-4-carbonitrile
SMILESN#Cc1nc(CCC(F)(F)F)oc1N
InChIInChI=1S/C7H6F3N3O/c8-7(9,10)2-1-5-13-4(3-11)6(12)14-5/h1-2,12H2
InChIKeyMLYOIBSPKSAVBM-UHFFFAOYSA-N
XLogP1.62
TPSA75.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.14
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-amino-2-(3,3,3-trifluoropropyl)-1,3-oxazole-4-carbonitrile?
The IUPAC name of 5-amino-2-(3,3,3-trifluoropropyl)-1,3-oxazole-4-carbonitrile (CID 66010111) is 5-amino-2-(3,3,3-trifluoropropyl)-1,3-oxazole-4-carbonitrile.
What is the SMILES notation for 5-amino-2-(3,3,3-trifluoropropyl)-1,3-oxazole-4-carbonitrile?
The canonical SMILES for 5-amino-2-(3,3,3-trifluoropropyl)-1,3-oxazole-4-carbonitrile is N#Cc1nc(CCC(F)(F)F)oc1N.
What is the InChIKey of 5-amino-2-(3,3,3-trifluoropropyl)-1,3-oxazole-4-carbonitrile?
The InChIKey is MLYOIBSPKSAVBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6F3N3O/c8-7(9,10)2-1-5-13-4(3-11)6(12)14-5/h1-2,12H2.
What are the key properties of 5-amino-2-(3,3,3-trifluoropropyl)-1,3-oxazole-4-carbonitrile?
5-amino-2-(3,3,3-trifluoropropyl)-1,3-oxazole-4-carbonitrile has a molecular weight of 205.14 g/mol, XLogP of 1.62, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-(3,3,3-trifluoropropyl)-1,3-oxazole-4-carbonitrile is sourced from PubChem (CID 66010111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).