1-[2-fluoro-5-[5-[5-methyl-1-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]-1,2,4-triazol-3-yl]-1,2,4-oxadiazol-3-yl]phenyl]-N,N-dimethylmethanamine

C17H15F4N9O — CID 166210416

IUPAC1-[2-fluoro-5-[5-[5-methyl-1-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]-1,2,4-triazol-3-yl]-1,2,4-oxadiazol-3-yl]phenyl]-N,N-dimethylmethanamine
SMILESCc1nc(-c2nc(-c3ccc(F)c(CN(C)C)c3)no2)nn1-c1n[nH]c(C(F)(F)F)n1
InChIInChI=1S/C17H15F4N9O/c1-8-22-13(27-30(8)16-24-15(25-26-16)17(19,20)21)14-23-12(28-31-14)9-4-5-11(18)10(6-9)7-29(2)3/h4-6H,7H2,1-3H3,(H,24,25,26)
InChIKeyGOLJFBBDBOCHME-UHFFFAOYSA-N
MW437.36 g/mol
LogP2.63
Rot. Bonds5

About 1-[2-fluoro-5-[5-[5-methyl-1-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]-1,2,4-triazol-3-yl]-1,2,4-oxadiazol-3-yl]phenyl]-N,N-dimethylmethanamine

1-[2-fluoro-5-[5-[5-methyl-1-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]-1,2,4-triazol-3-yl]-1,2,4-oxadiazol-3-yl]phenyl]-N,N-dimethylmethanamine (PubChem CID 166210416) has the molecular formula C17H15F4N9O and a molecular weight of 437.36 g/mol. Its IUPAC name is 1-[2-fluoro-5-[5-[5-methyl-1-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]-1,2,4-triazol-3-yl]-1,2,4-oxadiazol-3-yl]phenyl]-N,N-dimethylmethanamine.

Molecular Properties

Compound Name1-[2-fluoro-5-[5-[5-methyl-1-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]-1,2,4-triazol-3-yl]-1,2,4-oxadiazol-3-yl]phenyl]-N,N-dimethylmethanamine
PubChem CID166210416
Molecular FormulaC17H15F4N9O
Molecular Weight437.36 g/mol
Exact Mass437.13
IUPAC Name1-[2-fluoro-5-[5-[5-methyl-1-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]-1,2,4-triazol-3-yl]-1,2,4-oxadiazol-3-yl]phenyl]-N,N-dimethylmethanamine
SMILESCc1nc(-c2nc(-c3ccc(F)c(CN(C)C)c3)no2)nn1-c1n[nH]c(C(F)(F)F)n1
InChIInChI=1S/C17H15F4N9O/c1-8-22-13(27-30(8)16-24-15(25-26-16)17(19,20)21)14-23-12(28-31-14)9-4-5-11(18)10(6-9)7-29(2)3/h4-6H,7H2,1-3H3,(H,24,25,26)
InChIKeyGOLJFBBDBOCHME-UHFFFAOYSA-N
XLogP2.63
TPSA114.44 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.36
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze 1-[2-fluoro-5-[5-[5-methyl-1-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]-1,2,4-triazol-3-yl]-1,2,4-oxadiazol-3-yl]phenyl]-N,N-dimethylmethanamine with MolForge

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Related Compounds

1-[2-fluoro-5-[5-(2-methyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)-1,2,4-oxadiazol-3-yl]phenyl]-N,N-dimethylmethanamine
CID 166293110
2-[3-[3-(3,4-difluorophenyl)-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-N,N-dimethylethanamine
CID 154769846
1-cyclopropyl-5-[5-[3-[(dimethylamino)methyl]-4-fluorophenyl]-1,2,4-oxadiazol-3-yl]pyrimidine-2,4-dione
CID 166314333
1-[2-fluoro-5-[5-[(4-piperidin-1-ylsulfonylphenyl)methyl]-1,2,4-oxadiazol-3-yl]phenyl]-N,N-dimethylmethanamine
CID 166355612
5-(5-ethyl-1,2,4-oxadiazol-3-yl)-2-fluorobenzenethiol
CID 70639287
5-(1,1-difluoroethyl)-3-(3,4-difluorophenyl)-1H-1,2,4-triazole
CID 177188524
2-[4-[3-[3-[(dimethylamino)methyl]-4-fluorophenyl]-1,2,4-oxadiazol-5-yl]piperidin-1-yl]quinolin-8-ol;2,2,2-trifluoroacetic acid
CID 166224909
3-(4-fluoro-3-methylphenyl)-5-[(3-methylpiperazin-1-yl)methyl]-1,2,4-oxadiazole
CID 136549348
5-[3-chloro-5-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]-3-(4-fluorophenyl)-1,2,4-oxadiazole
CID 19326289
1-(2,4-difluorophenyl)-N-methyl-N-[[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]methyl]methanamine
CID 24664540
3-(4-fluoro-3-methylphenyl)-5-(pyrrolidin-2-ylmethyl)-1,2,4-oxadiazole
CID 61371734
3-(4-methylphenyl)-5-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazole
CID 19614165

Frequently Asked Questions

What is the IUPAC name of 1-[2-fluoro-5-[5-[5-methyl-1-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]-1,2,4-triazol-3-yl]-1,2,4-oxadiazol-3-yl]phenyl]-N,N-dimethylmethanamine?
The IUPAC name of 1-[2-fluoro-5-[5-[5-methyl-1-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]-1,2,4-triazol-3-yl]-1,2,4-oxadiazol-3-yl]phenyl]-N,N-dimethylmethanamine (CID 166210416) is 1-[2-fluoro-5-[5-[5-methyl-1-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]-1,2,4-triazol-3-yl]-1,2,4-oxadiazol-3-yl]phenyl]-N,N-dimethylmethanamine.
What is the SMILES notation for 1-[2-fluoro-5-[5-[5-methyl-1-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]-1,2,4-triazol-3-yl]-1,2,4-oxadiazol-3-yl]phenyl]-N,N-dimethylmethanamine?
The canonical SMILES for 1-[2-fluoro-5-[5-[5-methyl-1-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]-1,2,4-triazol-3-yl]-1,2,4-oxadiazol-3-yl]phenyl]-N,N-dimethylmethanamine is Cc1nc(-c2nc(-c3ccc(F)c(CN(C)C)c3)no2)nn1-c1n[nH]c(C(F)(F)F)n1.
What is the InChIKey of 1-[2-fluoro-5-[5-[5-methyl-1-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]-1,2,4-triazol-3-yl]-1,2,4-oxadiazol-3-yl]phenyl]-N,N-dimethylmethanamine?
The InChIKey is GOLJFBBDBOCHME-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15F4N9O/c1-8-22-13(27-30(8)16-24-15(25-26-16)17(19,20)21)14-23-12(28-31-14)9-4-5-11(18)10(6-9)7-29(2)3/h4-6H,7H2,1-3H3,(H,24,25,26).
What are the key properties of 1-[2-fluoro-5-[5-[5-methyl-1-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]-1,2,4-triazol-3-yl]-1,2,4-oxadiazol-3-yl]phenyl]-N,N-dimethylmethanamine?
1-[2-fluoro-5-[5-[5-methyl-1-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]-1,2,4-triazol-3-yl]-1,2,4-oxadiazol-3-yl]phenyl]-N,N-dimethylmethanamine has a molecular weight of 437.36 g/mol, XLogP of 2.63, 5 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-fluoro-5-[5-[5-methyl-1-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]-1,2,4-triazol-3-yl]-1,2,4-oxadiazol-3-yl]phenyl]-N,N-dimethylmethanamine is sourced from PubChem (CID 166210416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).