5-(2-amino-1,1,1-trifluoropropan-2-yl)-N,N-dimethyl-1,2,4-oxadiazol-3-amine

C7H11F3N4O — CID 116799695

IUPAC5-(2-amino-1,1,1-trifluoropropan-2-yl)-N,N-dimethyl-1,2,4-oxadiazol-3-amine
SMILESCN(C)c1noc(C(C)(N)C(F)(F)F)n1
InChIInChI=1S/C7H11F3N4O/c1-6(11,7(8,9)10)4-12-5(13-15-4)14(2)3/h11H2,1-3H3
InChIKeyDVXYZAVABNNKOA-UHFFFAOYSA-N
MW224.19 g/mol
LogP0.87
Rot. Bonds2

About 5-(2-amino-1,1,1-trifluoropropan-2-yl)-N,N-dimethyl-1,2,4-oxadiazol-3-amine

5-(2-amino-1,1,1-trifluoropropan-2-yl)-N,N-dimethyl-1,2,4-oxadiazol-3-amine (PubChem CID 116799695) has the molecular formula C7H11F3N4O and a molecular weight of 224.19 g/mol. Its IUPAC name is 5-(2-amino-1,1,1-trifluoropropan-2-yl)-N,N-dimethyl-1,2,4-oxadiazol-3-amine.

Molecular Properties

Compound Name5-(2-amino-1,1,1-trifluoropropan-2-yl)-N,N-dimethyl-1,2,4-oxadiazol-3-amine
PubChem CID116799695
Molecular FormulaC7H11F3N4O
Molecular Weight224.19 g/mol
Exact Mass224.09
IUPAC Name5-(2-amino-1,1,1-trifluoropropan-2-yl)-N,N-dimethyl-1,2,4-oxadiazol-3-amine
SMILESCN(C)c1noc(C(C)(N)C(F)(F)F)n1
InChIInChI=1S/C7H11F3N4O/c1-6(11,7(8,9)10)4-12-5(13-15-4)14(2)3/h11H2,1-3H3
InChIKeyDVXYZAVABNNKOA-UHFFFAOYSA-N
XLogP0.87
TPSA68.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.19
LogP ≤ 50.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1,1,1-trifluoro-2-(3-propyl-1,2,4-oxadiazol-5-yl)propan-2-amine
CID 79798158
1,1,1-trifluoro-2-(3-phenyl-1,2,4-oxadiazol-5-yl)propan-2-amine
CID 79797977
1,1,1-trifluoro-2-[3-(3,4,5-trifluorophenyl)-1,2,4-oxadiazol-5-yl]propan-2-amine
CID 79791086
1,1,1-trifluoro-2-(3-pyrimidin-4-yl-1,2,4-oxadiazol-5-yl)propan-2-amine
CID 115528994
1,1,1-trifluoro-2-[3-(3-methoxypropyl)-1,2,4-oxadiazol-5-yl]propan-2-amine
CID 79797988
1,1,1-trifluoro-2-[3-(propan-2-ylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]propan-2-amine
CID 79798249
2-[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]-1,1,1-trifluoropropan-2-amine
CID 79798935
1,1,1-trifluoro-2-[3-(2-methylpropylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]propan-2-amine
CID 79798413
2-[3-(3,4-dichlorophenyl)-1,2,4-oxadiazol-5-yl]-1,1,1-trifluoropropan-2-amine
CID 81491826
1,1,1-trifluoro-2-[3-(2-phenylethyl)-1,2,4-oxadiazol-5-yl]propan-2-amine
CID 79799032
1,1,1-trifluoro-2-[3-(6-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]propan-2-amine
CID 79797987
2-[3-(2-bromophenyl)-1,2,4-oxadiazol-5-yl]-1,1,1-trifluoropropan-2-amine
CID 79798669

Frequently Asked Questions

What is the IUPAC name of 5-(2-amino-1,1,1-trifluoropropan-2-yl)-N,N-dimethyl-1,2,4-oxadiazol-3-amine?
The IUPAC name of 5-(2-amino-1,1,1-trifluoropropan-2-yl)-N,N-dimethyl-1,2,4-oxadiazol-3-amine (CID 116799695) is 5-(2-amino-1,1,1-trifluoropropan-2-yl)-N,N-dimethyl-1,2,4-oxadiazol-3-amine.
What is the SMILES notation for 5-(2-amino-1,1,1-trifluoropropan-2-yl)-N,N-dimethyl-1,2,4-oxadiazol-3-amine?
The canonical SMILES for 5-(2-amino-1,1,1-trifluoropropan-2-yl)-N,N-dimethyl-1,2,4-oxadiazol-3-amine is CN(C)c1noc(C(C)(N)C(F)(F)F)n1.
What is the InChIKey of 5-(2-amino-1,1,1-trifluoropropan-2-yl)-N,N-dimethyl-1,2,4-oxadiazol-3-amine?
The InChIKey is DVXYZAVABNNKOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11F3N4O/c1-6(11,7(8,9)10)4-12-5(13-15-4)14(2)3/h11H2,1-3H3.
What are the key properties of 5-(2-amino-1,1,1-trifluoropropan-2-yl)-N,N-dimethyl-1,2,4-oxadiazol-3-amine?
5-(2-amino-1,1,1-trifluoropropan-2-yl)-N,N-dimethyl-1,2,4-oxadiazol-3-amine has a molecular weight of 224.19 g/mol, XLogP of 0.87, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-amino-1,1,1-trifluoropropan-2-yl)-N,N-dimethyl-1,2,4-oxadiazol-3-amine is sourced from PubChem (CID 116799695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).