5-[1-(methylamino)ethyl]-N-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-amine

C12H13F3N4O — CID 106966639

IUPAC5-[1-(methylamino)ethyl]-N-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-amine
SMILESCNC(C)c1nnc(Nc2ccc(C(F)(F)F)cc2)o1
InChIInChI=1S/C12H13F3N4O/c1-7(16-2)10-18-19-11(20-10)17-9-5-3-8(4-6-9)12(13,14)15/h3-7,16H,1-2H3,(H,17,19)
InChIKeyYRRHUGWYOKQETH-UHFFFAOYSA-N
MW286.26 g/mol
LogP3.11
Rot. Bonds4

About 5-[1-(methylamino)ethyl]-N-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-amine

5-[1-(methylamino)ethyl]-N-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-amine (PubChem CID 106966639) has the molecular formula C12H13F3N4O and a molecular weight of 286.26 g/mol. Its IUPAC name is 5-[1-(methylamino)ethyl]-N-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-amine.

Molecular Properties

Compound Name5-[1-(methylamino)ethyl]-N-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-amine
PubChem CID106966639
Molecular FormulaC12H13F3N4O
Molecular Weight286.26 g/mol
Exact Mass286.10
IUPAC Name5-[1-(methylamino)ethyl]-N-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-amine
SMILESCNC(C)c1nnc(Nc2ccc(C(F)(F)F)cc2)o1
InChIInChI=1S/C12H13F3N4O/c1-7(16-2)10-18-19-11(20-10)17-9-5-3-8(4-6-9)12(13,14)15/h3-7,16H,1-2H3,(H,17,19)
InChIKeyYRRHUGWYOKQETH-UHFFFAOYSA-N
XLogP3.11
TPSA62.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.26
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[1-(methylamino)ethyl]-N-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-amine?
The IUPAC name of 5-[1-(methylamino)ethyl]-N-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-amine (CID 106966639) is 5-[1-(methylamino)ethyl]-N-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-amine.
What is the SMILES notation for 5-[1-(methylamino)ethyl]-N-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-amine?
The canonical SMILES for 5-[1-(methylamino)ethyl]-N-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-amine is CNC(C)c1nnc(Nc2ccc(C(F)(F)F)cc2)o1.
What is the InChIKey of 5-[1-(methylamino)ethyl]-N-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-amine?
The InChIKey is YRRHUGWYOKQETH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13F3N4O/c1-7(16-2)10-18-19-11(20-10)17-9-5-3-8(4-6-9)12(13,14)15/h3-7,16H,1-2H3,(H,17,19).
What are the key properties of 5-[1-(methylamino)ethyl]-N-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-amine?
5-[1-(methylamino)ethyl]-N-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-amine has a molecular weight of 286.26 g/mol, XLogP of 3.11, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(methylamino)ethyl]-N-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-amine is sourced from PubChem (CID 106966639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).