1,1,1-trifluoro-2-(3-phenyl-1,2,4-oxadiazol-5-yl)propan-2-amine

C11H10F3N3O — CID 79797977

IUPAC1,1,1-trifluoro-2-(3-phenyl-1,2,4-oxadiazol-5-yl)propan-2-amine
SMILESCC(N)(c1nc(-c2ccccc2)no1)C(F)(F)F
InChIInChI=1S/C11H10F3N3O/c1-10(15,11(12,13)14)9-16-8(17-18-9)7-5-3-2-4-6-7/h2-6H,15H2,1H3
InChIKeyJKYPGTCDPJPFJA-UHFFFAOYSA-N
MW257.22 g/mol
LogP2.47
Rot. Bonds2

About 1,1,1-trifluoro-2-(3-phenyl-1,2,4-oxadiazol-5-yl)propan-2-amine

1,1,1-trifluoro-2-(3-phenyl-1,2,4-oxadiazol-5-yl)propan-2-amine (PubChem CID 79797977) has the molecular formula C11H10F3N3O and a molecular weight of 257.22 g/mol. Its IUPAC name is 1,1,1-trifluoro-2-(3-phenyl-1,2,4-oxadiazol-5-yl)propan-2-amine.

Molecular Properties

Compound Name1,1,1-trifluoro-2-(3-phenyl-1,2,4-oxadiazol-5-yl)propan-2-amine
PubChem CID79797977
Molecular FormulaC11H10F3N3O
Molecular Weight257.22 g/mol
Exact Mass257.08
IUPAC Name1,1,1-trifluoro-2-(3-phenyl-1,2,4-oxadiazol-5-yl)propan-2-amine
SMILESCC(N)(c1nc(-c2ccccc2)no1)C(F)(F)F
InChIInChI=1S/C11H10F3N3O/c1-10(15,11(12,13)14)9-16-8(17-18-9)7-5-3-2-4-6-7/h2-6H,15H2,1H3
InChIKeyJKYPGTCDPJPFJA-UHFFFAOYSA-N
XLogP2.47
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.22
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]-1,1,1-trifluoropropan-2-amine
CID 79798935
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-(3,4,5-trifluorophenyl)-1,2,4-oxadiazol-5-yl]propan-2-amine
CID 79791086
2-[3-(2-bromophenyl)-1,2,4-oxadiazol-5-yl]-1,1,1-trifluoropropan-2-amine
CID 79798669
3-(3-phenyl-1,2,4-oxadiazol-5-yl)pentan-3-amine
CID 79804455
1,1,1-trifluoro-2-[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]propan-2-amine
CID 79799029
4-[5-(2-amino-1,1,1-trifluoropropan-2-yl)-1,2,4-oxadiazol-3-yl]-2-fluorophenol
CID 136810081
1,1,1-trifluoro-2-[3-(6-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]propan-2-amine
CID 79797987
3-phenyl-5-(2-phenylpropan-2-yl)-1,2,4-oxadiazole
CID 154838471
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-(4-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]propan-2-amine
CID 79798247
1,1,1-trifluoro-2-(3-pyrimidin-4-yl-1,2,4-oxadiazol-5-yl)propan-2-amine
CID 115528994

Frequently Asked Questions

What is the IUPAC name of 1,1,1-trifluoro-2-(3-phenyl-1,2,4-oxadiazol-5-yl)propan-2-amine?
The IUPAC name of 1,1,1-trifluoro-2-(3-phenyl-1,2,4-oxadiazol-5-yl)propan-2-amine (CID 79797977) is 1,1,1-trifluoro-2-(3-phenyl-1,2,4-oxadiazol-5-yl)propan-2-amine.
What is the SMILES notation for 1,1,1-trifluoro-2-(3-phenyl-1,2,4-oxadiazol-5-yl)propan-2-amine?
The canonical SMILES for 1,1,1-trifluoro-2-(3-phenyl-1,2,4-oxadiazol-5-yl)propan-2-amine is CC(N)(c1nc(-c2ccccc2)no1)C(F)(F)F.
What is the InChIKey of 1,1,1-trifluoro-2-(3-phenyl-1,2,4-oxadiazol-5-yl)propan-2-amine?
The InChIKey is JKYPGTCDPJPFJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10F3N3O/c1-10(15,11(12,13)14)9-16-8(17-18-9)7-5-3-2-4-6-7/h2-6H,15H2,1H3.
What are the key properties of 1,1,1-trifluoro-2-(3-phenyl-1,2,4-oxadiazol-5-yl)propan-2-amine?
1,1,1-trifluoro-2-(3-phenyl-1,2,4-oxadiazol-5-yl)propan-2-amine has a molecular weight of 257.22 g/mol, XLogP of 2.47, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1-trifluoro-2-(3-phenyl-1,2,4-oxadiazol-5-yl)propan-2-amine is sourced from PubChem (CID 79797977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).