1-(2,4-difluorophenyl)-N-methyl-N-[[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]methyl]methanamine

C18H14F5N3O — CID 24664540

IUPAC1-(2,4-difluorophenyl)-N-methyl-N-[[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]methyl]methanamine
SMILESCN(Cc1nc(-c2cccc(C(F)(F)F)c2)no1)Cc1ccc(F)cc1F
InChIInChI=1S/C18H14F5N3O/c1-26(9-12-5-6-14(19)8-15(12)20)10-16-24-17(25-27-16)11-3-2-4-13(7-11)18(21,22)23/h2-8H,9-10H2,1H3
InChIKeyVHXFUTWUPNPTBE-UHFFFAOYSA-N
MW383.32 g/mol
LogP4.67
Rot. Bonds5

About 1-(2,4-difluorophenyl)-N-methyl-N-[[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]methyl]methanamine

1-(2,4-difluorophenyl)-N-methyl-N-[[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]methyl]methanamine (PubChem CID 24664540) has the molecular formula C18H14F5N3O and a molecular weight of 383.32 g/mol. Its IUPAC name is 1-(2,4-difluorophenyl)-N-methyl-N-[[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]methyl]methanamine.

Molecular Properties

Compound Name1-(2,4-difluorophenyl)-N-methyl-N-[[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]methyl]methanamine
PubChem CID24664540
Molecular FormulaC18H14F5N3O
Molecular Weight383.32 g/mol
Exact Mass383.11
IUPAC Name1-(2,4-difluorophenyl)-N-methyl-N-[[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]methyl]methanamine
SMILESCN(Cc1nc(-c2cccc(C(F)(F)F)c2)no1)Cc1ccc(F)cc1F
InChIInChI=1S/C18H14F5N3O/c1-26(9-12-5-6-14(19)8-15(12)20)10-16-24-17(25-27-16)11-3-2-4-13(7-11)18(21,22)23/h2-8H,9-10H2,1H3
InChIKeyVHXFUTWUPNPTBE-UHFFFAOYSA-N
XLogP4.67
TPSA42.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.32
LogP ≤ 54.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-3-[methyl-[[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]methyl]amino]propanenitrile
CID 47545944
1,1-difluoro-3-[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]propan-2-one
CID 63346960
5-(pyrimidin-2-ylsulfanylmethyl)-3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazole
CID 18136131
N-methyl-1-[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]propan-2-amine
CID 63347519
4-[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]butan-1-ol
CID 79191685
1-(2-chlorophenyl)-N-[[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methylmethanamine
CID 27097699
2-[propyl-[[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]methyl]amino]-N-(2,3,4-trifluorophenyl)acetamide
CID 41304136
5-[3-methyl-5-(trifluoromethyl)-1,2-oxazol-4-yl]-3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazole
CID 2740227
5-[3-[(3-fluorophenyl)methylsulfonyl]propyl]-3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazole
CID 47035230
5-[(5-ethyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]-3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazole
CID 30407889
(2R,6R)-2,6-dimethyl-4-[[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]methyl]morpholine
CID 30136383
N-[[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-1-(2-methoxyphenyl)-N-methylmethanamine
CID 26511243

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-difluorophenyl)-N-methyl-N-[[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]methyl]methanamine?
The IUPAC name of 1-(2,4-difluorophenyl)-N-methyl-N-[[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]methyl]methanamine (CID 24664540) is 1-(2,4-difluorophenyl)-N-methyl-N-[[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]methyl]methanamine.
What is the SMILES notation for 1-(2,4-difluorophenyl)-N-methyl-N-[[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]methyl]methanamine?
The canonical SMILES for 1-(2,4-difluorophenyl)-N-methyl-N-[[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]methyl]methanamine is CN(Cc1nc(-c2cccc(C(F)(F)F)c2)no1)Cc1ccc(F)cc1F.
What is the InChIKey of 1-(2,4-difluorophenyl)-N-methyl-N-[[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]methyl]methanamine?
The InChIKey is VHXFUTWUPNPTBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14F5N3O/c1-26(9-12-5-6-14(19)8-15(12)20)10-16-24-17(25-27-16)11-3-2-4-13(7-11)18(21,22)23/h2-8H,9-10H2,1H3.
What are the key properties of 1-(2,4-difluorophenyl)-N-methyl-N-[[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]methyl]methanamine?
1-(2,4-difluorophenyl)-N-methyl-N-[[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]methyl]methanamine has a molecular weight of 383.32 g/mol, XLogP of 4.67, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-difluorophenyl)-N-methyl-N-[[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]methyl]methanamine is sourced from PubChem (CID 24664540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).