4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]-N-[3-[methyl(2,2,2-trifluoroethyl)amino]propyl]benzamide

C17H21F3N4O3 — CID 55712910

IUPAC4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]-N-[3-[methyl(2,2,2-trifluoroethyl)amino]propyl]benzamide
SMILESCc1nc(COc2ccc(C(=O)NCCCN(C)CC(F)(F)F)cc2)no1
InChIInChI=1S/C17H21F3N4O3/c1-12-22-15(23-27-12)10-26-14-6-4-13(5-7-14)16(25)21-8-3-9-24(2)11-17(18,19)20/h4-7H,3,8-11H2,1-2H3,(H,21,25)
InChIKeyKKAZZOJRNRULOC-UHFFFAOYSA-N
MW386.37 g/mol
LogP2.57
Rot. Bonds9

About 4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]-N-[3-[methyl(2,2,2-trifluoroethyl)amino]propyl]benzamide

4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]-N-[3-[methyl(2,2,2-trifluoroethyl)amino]propyl]benzamide (PubChem CID 55712910) has the molecular formula C17H21F3N4O3 and a molecular weight of 386.37 g/mol. Its IUPAC name is 4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]-N-[3-[methyl(2,2,2-trifluoroethyl)amino]propyl]benzamide.

Molecular Properties

Compound Name4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]-N-[3-[methyl(2,2,2-trifluoroethyl)amino]propyl]benzamide
PubChem CID55712910
Molecular FormulaC17H21F3N4O3
Molecular Weight386.37 g/mol
Exact Mass386.16
IUPAC Name4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]-N-[3-[methyl(2,2,2-trifluoroethyl)amino]propyl]benzamide
SMILESCc1nc(COc2ccc(C(=O)NCCCN(C)CC(F)(F)F)cc2)no1
InChIInChI=1S/C17H21F3N4O3/c1-12-22-15(23-27-12)10-26-14-6-4-13(5-7-14)16(25)21-8-3-9-24(2)11-17(18,19)20/h4-7H,3,8-11H2,1-2H3,(H,21,25)
InChIKeyKKAZZOJRNRULOC-UHFFFAOYSA-N
XLogP2.57
TPSA80.49 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.37
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-ethyl-4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]benzamide
CID 47137708
3-[2-[[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]benzoyl]amino]ethyldisulfanyl]propanoic acid;2,2,2-trifluoroacetic acid
CID 166425113
N-[(2S)-3-methylbutan-2-yl]-4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]benzamide
CID 25362920
N-[3-(4-benzylpiperazin-1-yl)propyl]-4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]benzamide
CID 55633954
4-cyclopentyloxy-N-[3-[methyl(2,2,2-trifluoroethyl)amino]propyl]benzamide
CID 55716152
benzyl 2-[[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]benzoyl]amino]acetate
CID 55473566
N,N-diethyl-4-[[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]benzoyl]amino]benzamide
CID 32766350
N-[(5-bromo-2-fluorophenyl)methyl]-4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]benzamide
CID 46592597
4-ethoxy-N-[3-[3-[(4-ethoxybenzoyl)amino]propyl-methylamino]propyl]benzamide
CID 17296274
N-[3-[5-amino-4-cyano-1-(4-fluorophenyl)pyrazol-3-yl]propyl]-4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]benzamide
CID 55653320
N-(2-aminoethyl)-4-[(5-ethyl-1,2,4-oxadiazol-3-yl)methoxy]benzamide;hydrochloride
CID 119383309
5-[[4-[(5-ethyl-1,2,4-oxadiazol-3-yl)methoxy]benzoyl]amino]pentanoic acid
CID 119234883

Frequently Asked Questions

What is the IUPAC name of 4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]-N-[3-[methyl(2,2,2-trifluoroethyl)amino]propyl]benzamide?
The IUPAC name of 4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]-N-[3-[methyl(2,2,2-trifluoroethyl)amino]propyl]benzamide (CID 55712910) is 4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]-N-[3-[methyl(2,2,2-trifluoroethyl)amino]propyl]benzamide.
What is the SMILES notation for 4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]-N-[3-[methyl(2,2,2-trifluoroethyl)amino]propyl]benzamide?
The canonical SMILES for 4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]-N-[3-[methyl(2,2,2-trifluoroethyl)amino]propyl]benzamide is Cc1nc(COc2ccc(C(=O)NCCCN(C)CC(F)(F)F)cc2)no1.
What is the InChIKey of 4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]-N-[3-[methyl(2,2,2-trifluoroethyl)amino]propyl]benzamide?
The InChIKey is KKAZZOJRNRULOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21F3N4O3/c1-12-22-15(23-27-12)10-26-14-6-4-13(5-7-14)16(25)21-8-3-9-24(2)11-17(18,19)20/h4-7H,3,8-11H2,1-2H3,(H,21,25).
What are the key properties of 4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]-N-[3-[methyl(2,2,2-trifluoroethyl)amino]propyl]benzamide?
4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]-N-[3-[methyl(2,2,2-trifluoroethyl)amino]propyl]benzamide has a molecular weight of 386.37 g/mol, XLogP of 2.57, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]-N-[3-[methyl(2,2,2-trifluoroethyl)amino]propyl]benzamide is sourced from PubChem (CID 55712910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).