2-[3-(3,4-dichlorophenyl)-1,2,4-oxadiazol-5-yl]-1,1,1-trifluoropropan-2-amine

C11H8Cl2F3N3O — CID 81491826

IUPAC2-[3-(3,4-dichlorophenyl)-1,2,4-oxadiazol-5-yl]-1,1,1-trifluoropropan-2-amine
SMILESCC(N)(c1nc(-c2ccc(Cl)c(Cl)c2)no1)C(F)(F)F
InChIInChI=1S/C11H8Cl2F3N3O/c1-10(17,11(14,15)16)9-18-8(19-20-9)5-2-3-6(12)7(13)4-5/h2-4H,17H2,1H3
InChIKeyFOLFSMBUXLSHRX-UHFFFAOYSA-N
MW326.11 g/mol
LogP3.78
Rot. Bonds2

About 2-[3-(3,4-dichlorophenyl)-1,2,4-oxadiazol-5-yl]-1,1,1-trifluoropropan-2-amine

2-[3-(3,4-dichlorophenyl)-1,2,4-oxadiazol-5-yl]-1,1,1-trifluoropropan-2-amine (PubChem CID 81491826) has the molecular formula C11H8Cl2F3N3O and a molecular weight of 326.11 g/mol. Its IUPAC name is 2-[3-(3,4-dichlorophenyl)-1,2,4-oxadiazol-5-yl]-1,1,1-trifluoropropan-2-amine.

Molecular Properties

Compound Name2-[3-(3,4-dichlorophenyl)-1,2,4-oxadiazol-5-yl]-1,1,1-trifluoropropan-2-amine
PubChem CID81491826
Molecular FormulaC11H8Cl2F3N3O
Molecular Weight326.11 g/mol
Exact Mass325.00
IUPAC Name2-[3-(3,4-dichlorophenyl)-1,2,4-oxadiazol-5-yl]-1,1,1-trifluoropropan-2-amine
SMILESCC(N)(c1nc(-c2ccc(Cl)c(Cl)c2)no1)C(F)(F)F
InChIInChI=1S/C11H8Cl2F3N3O/c1-10(17,11(14,15)16)9-18-8(19-20-9)5-2-3-6(12)7(13)4-5/h2-4H,17H2,1H3
InChIKeyFOLFSMBUXLSHRX-UHFFFAOYSA-N
XLogP3.78
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.11
LogP ≤ 53.78
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
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-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]propan-2-amine
CID 79799029
2-[3-(3,4-dichlorophenyl)-1,2,4-oxadiazol-5-yl]pentan-2-amine
CID 81491734
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-(3,4,5-trifluorophenyl)-1,2,4-oxadiazol-5-yl]propan-2-amine
CID 79791086
3-[3-(3-bromo-4-chlorophenyl)-1,2,4-oxadiazol-5-yl]pentan-3-amine
CID 115565665
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
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-(4-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]propan-2-amine
CID 79798247
2-[3-(3-bromo-4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-methylpropan-2-amine
CID 115565472

Frequently Asked Questions

What is the IUPAC name of 2-[3-(3,4-dichlorophenyl)-1,2,4-oxadiazol-5-yl]-1,1,1-trifluoropropan-2-amine?
The IUPAC name of 2-[3-(3,4-dichlorophenyl)-1,2,4-oxadiazol-5-yl]-1,1,1-trifluoropropan-2-amine (CID 81491826) is 2-[3-(3,4-dichlorophenyl)-1,2,4-oxadiazol-5-yl]-1,1,1-trifluoropropan-2-amine.
What is the SMILES notation for 2-[3-(3,4-dichlorophenyl)-1,2,4-oxadiazol-5-yl]-1,1,1-trifluoropropan-2-amine?
The canonical SMILES for 2-[3-(3,4-dichlorophenyl)-1,2,4-oxadiazol-5-yl]-1,1,1-trifluoropropan-2-amine is CC(N)(c1nc(-c2ccc(Cl)c(Cl)c2)no1)C(F)(F)F.
What is the InChIKey of 2-[3-(3,4-dichlorophenyl)-1,2,4-oxadiazol-5-yl]-1,1,1-trifluoropropan-2-amine?
The InChIKey is FOLFSMBUXLSHRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8Cl2F3N3O/c1-10(17,11(14,15)16)9-18-8(19-20-9)5-2-3-6(12)7(13)4-5/h2-4H,17H2,1H3.
What are the key properties of 2-[3-(3,4-dichlorophenyl)-1,2,4-oxadiazol-5-yl]-1,1,1-trifluoropropan-2-amine?
2-[3-(3,4-dichlorophenyl)-1,2,4-oxadiazol-5-yl]-1,1,1-trifluoropropan-2-amine has a molecular weight of 326.11 g/mol, XLogP of 3.78, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(3,4-dichlorophenyl)-1,2,4-oxadiazol-5-yl]-1,1,1-trifluoropropan-2-amine is sourced from PubChem (CID 81491826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).