N-[(2R)-1-[(4-fluorophenyl)methyl-methylamino]propan-2-yl]-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide

C21H20F4N4O2 — CID 164881623

IUPACN-[(2R)-1-[(4-fluorophenyl)methyl-methylamino]propan-2-yl]-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide
SMILESC[C@H](CN(C)Cc1ccc(F)cc1)NC(=O)c1ccc(-c2noc(C(F)(F)F)n2)cc1
InChIInChI=1S/C21H20F4N4O2/c1-13(11-29(2)12-14-3-9-17(22)10-4-14)26-19(30)16-7-5-15(6-8-16)18-27-20(31-28-18)21(23,24)25/h3-10,13H,11-12H2,1-2H3,(H,26,30)/t13-/m1/s1
InChIKeyXHBUYNGUODCSLB-CYBMUJFWSA-N
MW436.41 g/mol
LogP4.14
Rot. Bonds7

About N-[(2R)-1-[(4-fluorophenyl)methyl-methylamino]propan-2-yl]-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide

N-[(2R)-1-[(4-fluorophenyl)methyl-methylamino]propan-2-yl]-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide (PubChem CID 164881623) has the molecular formula C21H20F4N4O2 and a molecular weight of 436.41 g/mol. Its IUPAC name is N-[(2R)-1-[(4-fluorophenyl)methyl-methylamino]propan-2-yl]-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide.

Molecular Properties

Compound NameN-[(2R)-1-[(4-fluorophenyl)methyl-methylamino]propan-2-yl]-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide
PubChem CID164881623
Molecular FormulaC21H20F4N4O2
Molecular Weight436.41 g/mol
Exact Mass436.15
IUPAC NameN-[(2R)-1-[(4-fluorophenyl)methyl-methylamino]propan-2-yl]-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide
SMILESC[C@H](CN(C)Cc1ccc(F)cc1)NC(=O)c1ccc(-c2noc(C(F)(F)F)n2)cc1
InChIInChI=1S/C21H20F4N4O2/c1-13(11-29(2)12-14-3-9-17(22)10-4-14)26-19(30)16-7-5-15(6-8-16)18-27-20(31-28-18)21(23,24)25/h3-10,13H,11-12H2,1-2H3,(H,26,30)/t13-/m1/s1
InChIKeyXHBUYNGUODCSLB-CYBMUJFWSA-N
XLogP4.14
TPSA71.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.41
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-N-(cyanomethyl)-4-methyl-2-{[(1S)-2,2,2-trifluoro-1-[4-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]ethyl]amino}pentanamide
CID 23648306
N-[(1R)-1-[2-fluoro-4-[3-fluoro-2-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]phenyl]ethyl]-1-[(2,2,2-trifluoroacetyl)amino]cyclopropane-1-carboxamide
CID 10217706
N-[(2R)-1-(dipropylamino)propan-2-yl]-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide
CID 71230790
(R)-N-(1-(benzyl(methyl)amino)propan-2-yl)-4-(5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl)benzamide
CID 71230992
[4-[3-(Diethylamino)propyl]piperazin-1-yl]-[3-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]methanone
CID 44523979
N-[(2R)-1-[methyl(propan-2-yl)amino]propan-2-yl]-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide
CID 71230799
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CID 122669618
N-[(2,2-dimethylcyclopentyl)methyl]-4-[5-(3,3,3-trifluoropropyl)-1,2,4-oxadiazol-3-yl]benzamide
CID 10386016
[4-[3-(Dimethylamino)propyl]piperazin-1-yl]-[3-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]methanone
CID 44523934
N-Cyclopropyl-6-methyl-4'-(5-methyl-1,2,4-oxadiazol-3-yl)[1,1'-biphenyl]-3-carboxamide
CID 44580359
N-[(2R)-1-pyrrolidin-1-ylpropan-2-yl]-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide
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CID 71230957

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-1-[(4-fluorophenyl)methyl-methylamino]propan-2-yl]-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide?
The IUPAC name of N-[(2R)-1-[(4-fluorophenyl)methyl-methylamino]propan-2-yl]-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide (CID 164881623) is N-[(2R)-1-[(4-fluorophenyl)methyl-methylamino]propan-2-yl]-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide.
What is the SMILES notation for N-[(2R)-1-[(4-fluorophenyl)methyl-methylamino]propan-2-yl]-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide?
The canonical SMILES for N-[(2R)-1-[(4-fluorophenyl)methyl-methylamino]propan-2-yl]-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide is C[C@H](CN(C)Cc1ccc(F)cc1)NC(=O)c1ccc(-c2noc(C(F)(F)F)n2)cc1.
What is the InChIKey of N-[(2R)-1-[(4-fluorophenyl)methyl-methylamino]propan-2-yl]-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide?
The InChIKey is XHBUYNGUODCSLB-CYBMUJFWSA-N. The full InChI is InChI=1S/C21H20F4N4O2/c1-13(11-29(2)12-14-3-9-17(22)10-4-14)26-19(30)16-7-5-15(6-8-16)18-27-20(31-28-18)21(23,24)25/h3-10,13H,11-12H2,1-2H3,(H,26,30)/t13-/m1/s1.
What are the key properties of N-[(2R)-1-[(4-fluorophenyl)methyl-methylamino]propan-2-yl]-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide?
N-[(2R)-1-[(4-fluorophenyl)methyl-methylamino]propan-2-yl]-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide has a molecular weight of 436.41 g/mol, XLogP of 4.14, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-1-[(4-fluorophenyl)methyl-methylamino]propan-2-yl]-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide is sourced from PubChem (CID 164881623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).