1-[5-[2-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-3-yl]propan-2-amine

C12H12F3N3O — CID 62653408

IUPAC1-[5-[2-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-3-yl]propan-2-amine
SMILESCC(N)Cc1noc(-c2ccccc2C(F)(F)F)n1
InChIInChI=1S/C12H12F3N3O/c1-7(16)6-10-17-11(19-18-10)8-4-2-3-5-9(8)12(13,14)15/h2-5,7H,6,16H2,1H3
InChIKeyAZCPRTWRZLYIBA-UHFFFAOYSA-N
MW271.24 g/mol
LogP2.65
Rot. Bonds3

About 1-[5-[2-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-3-yl]propan-2-amine

1-[5-[2-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-3-yl]propan-2-amine (PubChem CID 62653408) has the molecular formula C12H12F3N3O and a molecular weight of 271.24 g/mol. Its IUPAC name is 1-[5-[2-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-3-yl]propan-2-amine.

Molecular Properties

Compound Name1-[5-[2-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-3-yl]propan-2-amine
PubChem CID62653408
Molecular FormulaC12H12F3N3O
Molecular Weight271.24 g/mol
Exact Mass271.09
IUPAC Name1-[5-[2-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-3-yl]propan-2-amine
SMILESCC(N)Cc1noc(-c2ccccc2C(F)(F)F)n1
InChIInChI=1S/C12H12F3N3O/c1-7(16)6-10-17-11(19-18-10)8-4-2-3-5-9(8)12(13,14)15/h2-5,7H,6,16H2,1H3
InChIKeyAZCPRTWRZLYIBA-UHFFFAOYSA-N
XLogP2.65
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.24
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[5-[2-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-3-yl]ethanol
CID 115079288
1-[5-(2,3-difluorophenyl)-1,2,4-oxadiazol-3-yl]propan-2-amine
CID 62660245
1-[3-[2-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]propan-2-amine
CID 115081520
N-methyl-3-[5-[2-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-3-yl]propan-1-amine
CID 115079341
1-[5-(2,5-difluorophenyl)-1,2,4-oxadiazol-3-yl]propan-2-amine
CID 62651230
1-[5-(2,4-difluorophenyl)-1,2,4-oxadiazol-3-yl]propan-2-amine
CID 55101679
3-bromo-5-[2-(trifluoromethyl)phenyl]-1,2,4-oxadiazole
CID 112571512
3-[(2-fluorophenoxy)methyl]-5-[2-(trifluoromethyl)phenyl]-1,2,4-oxadiazole
CID 46171762
1-(5-pyrazolo[1,5-a]pyridin-3-yl-1,2,4-oxadiazol-3-yl)propan-2-amine
CID 104880032
1-[2-[2-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]propan-2-amine
CID 115091866
1-[5-(5-bromofuran-2-yl)-1,2,4-oxadiazol-3-yl]propan-2-amine
CID 62651224
1-[3-[2-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]ethanamine
CID 102548777

Frequently Asked Questions

What is the IUPAC name of 1-[5-[2-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-3-yl]propan-2-amine?
The IUPAC name of 1-[5-[2-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-3-yl]propan-2-amine (CID 62653408) is 1-[5-[2-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-3-yl]propan-2-amine.
What is the SMILES notation for 1-[5-[2-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-3-yl]propan-2-amine?
The canonical SMILES for 1-[5-[2-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-3-yl]propan-2-amine is CC(N)Cc1noc(-c2ccccc2C(F)(F)F)n1.
What is the InChIKey of 1-[5-[2-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-3-yl]propan-2-amine?
The InChIKey is AZCPRTWRZLYIBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12F3N3O/c1-7(16)6-10-17-11(19-18-10)8-4-2-3-5-9(8)12(13,14)15/h2-5,7H,6,16H2,1H3.
What are the key properties of 1-[5-[2-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-3-yl]propan-2-amine?
1-[5-[2-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-3-yl]propan-2-amine has a molecular weight of 271.24 g/mol, XLogP of 2.65, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[2-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-3-yl]propan-2-amine is sourced from PubChem (CID 62653408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).