2-ethyl-6-methyl-N-[[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]methyl]aniline

C13H14F3N3O — CID 23462269

IUPAC2-ethyl-6-methyl-N-[[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]methyl]aniline
SMILESCCc1cccc(C)c1NCc1nnc(C(F)(F)F)o1
InChIInChI=1S/C13H14F3N3O/c1-3-9-6-4-5-8(2)11(9)17-7-10-18-19-12(20-10)13(14,15)16/h4-6,17H,3,7H2,1-2H3
InChIKeyDYADSSRDLIHGCG-UHFFFAOYSA-N
MW285.27 g/mol
LogP3.57
Rot. Bonds4

About 2-ethyl-6-methyl-N-[[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]methyl]aniline

2-ethyl-6-methyl-N-[[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]methyl]aniline (PubChem CID 23462269) has the molecular formula C13H14F3N3O and a molecular weight of 285.27 g/mol. Its IUPAC name is 2-ethyl-6-methyl-N-[[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]methyl]aniline.

Molecular Properties

Compound Name2-ethyl-6-methyl-N-[[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]methyl]aniline
PubChem CID23462269
Molecular FormulaC13H14F3N3O
Molecular Weight285.27 g/mol
Exact Mass285.11
IUPAC Name2-ethyl-6-methyl-N-[[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]methyl]aniline
SMILESCCc1cccc(C)c1NCc1nnc(C(F)(F)F)o1
InChIInChI=1S/C13H14F3N3O/c1-3-9-6-4-5-8(2)11(9)17-7-10-18-19-12(20-10)13(14,15)16/h4-6,17H,3,7H2,1-2H3
InChIKeyDYADSSRDLIHGCG-UHFFFAOYSA-N
XLogP3.57
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.27
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N1-(3-fluoro-4-methylphenyl)-N2-((5-methyl-1,3,4-oxadiazol-2-yl)methyl)oxalamide
CID 45584853
N-[4-(acetylamino)benzyl]-2-{[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]amino}acetamide
CID 50978135
N1-(2-cyanophenyl)-N2-((5-methyl-1,3,4-oxadiazol-2-yl)methyl)oxalamide
CID 45584514
2-[(5,8-difluoro-3,4-dihydro-2H-quinolin-1-yl)methyl]-5-ethyl-1,3,4-oxadiazole
CID 71850634
2,5-difluoro-N-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methyl]aniline
CID 71850884
N-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-3-fluoro-4-(3-fluorophenyl)aniline
CID 75503013
3-fluoro-4-(3-fluorophenyl)-N-[(1S)-1-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl]aniline
CID 97813825
3-ethyl-N-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-4-fluoroaniline
CID 121538569
2-ethyl-5-[(5,6,8-trifluoro-3,4-dihydro-2H-quinolin-1-yl)methyl]-1,3,4-oxadiazole
CID 121582565
2,6-dimethyl-N-[[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]methyl]aniline
CID 23462176
2-tert-butyl-6-chloro-N-[[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]methyl]aniline
CID 23462208
2-tert-butyl-N-[[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]methyl]aniline
CID 23462332

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-6-methyl-N-[[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]methyl]aniline?
The IUPAC name of 2-ethyl-6-methyl-N-[[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]methyl]aniline (CID 23462269) is 2-ethyl-6-methyl-N-[[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]methyl]aniline.
What is the SMILES notation for 2-ethyl-6-methyl-N-[[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]methyl]aniline?
The canonical SMILES for 2-ethyl-6-methyl-N-[[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]methyl]aniline is CCc1cccc(C)c1NCc1nnc(C(F)(F)F)o1.
What is the InChIKey of 2-ethyl-6-methyl-N-[[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]methyl]aniline?
The InChIKey is DYADSSRDLIHGCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14F3N3O/c1-3-9-6-4-5-8(2)11(9)17-7-10-18-19-12(20-10)13(14,15)16/h4-6,17H,3,7H2,1-2H3.
What are the key properties of 2-ethyl-6-methyl-N-[[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]methyl]aniline?
2-ethyl-6-methyl-N-[[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]methyl]aniline has a molecular weight of 285.27 g/mol, XLogP of 3.57, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-6-methyl-N-[[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]methyl]aniline is sourced from PubChem (CID 23462269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).