N-[[2-[2-(dimethylamino)ethoxy]phenyl]methyl]-3-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide

C21H21F3N4O3 — CID 53345129

IUPACN-[[2-[2-(dimethylamino)ethoxy]phenyl]methyl]-3-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide
SMILESCN(C)CCOc1ccccc1CNC(=O)c1cccc(-c2noc(C(F)(F)F)n2)c1
InChIInChI=1S/C21H21F3N4O3/c1-28(2)10-11-30-17-9-4-3-6-16(17)13-25-19(29)15-8-5-7-14(12-15)18-26-20(31-27-18)21(22,23)24/h3-9,12H,10-11,13H2,1-2H3,(H,25,29)
InChIKeyDCJQQAURSQRSPY-UHFFFAOYSA-N
MW434.42 g/mol
LogP3.63
Rot. Bonds8

About N-[[2-[2-(dimethylamino)ethoxy]phenyl]methyl]-3-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide

N-[[2-[2-(dimethylamino)ethoxy]phenyl]methyl]-3-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide (PubChem CID 53345129) has the molecular formula C21H21F3N4O3 and a molecular weight of 434.42 g/mol. Its IUPAC name is N-[[2-[2-(dimethylamino)ethoxy]phenyl]methyl]-3-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide.

Molecular Properties

Compound NameN-[[2-[2-(dimethylamino)ethoxy]phenyl]methyl]-3-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide
PubChem CID53345129
Molecular FormulaC21H21F3N4O3
Molecular Weight434.42 g/mol
Exact Mass434.16
IUPAC NameN-[[2-[2-(dimethylamino)ethoxy]phenyl]methyl]-3-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide
SMILESCN(C)CCOc1ccccc1CNC(=O)c1cccc(-c2noc(C(F)(F)F)n2)c1
InChIInChI=1S/C21H21F3N4O3/c1-28(2)10-11-30-17-9-4-3-6-16(17)13-25-19(29)15-8-5-7-14(12-15)18-26-20(31-27-18)21(22,23)24/h3-9,12H,10-11,13H2,1-2H3,(H,25,29)
InChIKeyDCJQQAURSQRSPY-UHFFFAOYSA-N
XLogP3.63
TPSA80.49 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.42
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-methyl-2-(3-phenylphenyl)propyl]-3-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide
CID 67379157
N-[2-[2,3-dihydro-1,4-benzodioxin-6-yl(methyl)amino]ethyl]-3-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide
CID 71203810
N-[2-[2,3-dihydro-1,4-benzodioxin-5-yl(methyl)amino]ethyl]-3-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide
CID 71487385
N-[[2-[2-(dimethylamino)ethoxy]phenyl]methyl]-2,3-difluorobenzamide
CID 56823330
[4-[3-(dimethylamino)propyl]piperazin-1-yl]-[3-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]methanone
CID 44523934
N-[2-[methyl-(5-methyl-1,3-benzoxazol-2-yl)amino]ethyl]-3-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide
CID 71185585
N-[2-[methyl-[5-(5-methyl-2-pyridinyl)thiophen-2-yl]amino]ethyl]-3-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide
CID 71185596
N-[2-(dimethylamino)-2-(4-phenyl-1,3-thiazol-2-yl)ethyl]-3-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide;N,N-dimethyl-1-(4-phenyl-1,3-thiazol-2-yl)ethane-1,2-diamine;3-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzoic acid
CID 158026151
N-[(2-methoxyphenyl)methyl]-3-(trifluoromethyl)benzamide
CID 2713294
N-[2-(dimethylamino)ethyl]-N-methyl-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide
CID 71231062
3-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-N-[[4-[4-(trifluoromethyl)phenyl]oxan-4-yl]methyl]benzamide
CID 71487667
N,N-dimethyl-2-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)phenoxy]ethanamine
CID 3038472

Frequently Asked Questions

What is the IUPAC name of N-[[2-[2-(dimethylamino)ethoxy]phenyl]methyl]-3-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide?
The IUPAC name of N-[[2-[2-(dimethylamino)ethoxy]phenyl]methyl]-3-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide (CID 53345129) is N-[[2-[2-(dimethylamino)ethoxy]phenyl]methyl]-3-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide.
What is the SMILES notation for N-[[2-[2-(dimethylamino)ethoxy]phenyl]methyl]-3-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide?
The canonical SMILES for N-[[2-[2-(dimethylamino)ethoxy]phenyl]methyl]-3-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide is CN(C)CCOc1ccccc1CNC(=O)c1cccc(-c2noc(C(F)(F)F)n2)c1.
What is the InChIKey of N-[[2-[2-(dimethylamino)ethoxy]phenyl]methyl]-3-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide?
The InChIKey is DCJQQAURSQRSPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21F3N4O3/c1-28(2)10-11-30-17-9-4-3-6-16(17)13-25-19(29)15-8-5-7-14(12-15)18-26-20(31-27-18)21(22,23)24/h3-9,12H,10-11,13H2,1-2H3,(H,25,29).
What are the key properties of N-[[2-[2-(dimethylamino)ethoxy]phenyl]methyl]-3-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide?
N-[[2-[2-(dimethylamino)ethoxy]phenyl]methyl]-3-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide has a molecular weight of 434.42 g/mol, XLogP of 3.63, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-[2-(dimethylamino)ethoxy]phenyl]methyl]-3-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide is sourced from PubChem (CID 53345129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).