4-[[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl-methylamino]methyl]-N-methylbenzamide

C19H19FN4O2 — CID 42540179

IUPAC4-[[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl-methylamino]methyl]-N-methylbenzamide
SMILESCNC(=O)c1ccc(CN(C)Cc2nc(-c3ccc(F)cc3)no2)cc1
InChIInChI=1S/C19H19FN4O2/c1-21-19(25)15-5-3-13(4-6-15)11-24(2)12-17-22-18(23-26-17)14-7-9-16(20)10-8-14/h3-10H,11-12H2,1-2H3,(H,21,25)
InChIKeyLFPWIUHBACBODQ-UHFFFAOYSA-N
MW354.39 g/mol
LogP2.87
Rot. Bonds6

About 4-[[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl-methylamino]methyl]-N-methylbenzamide

4-[[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl-methylamino]methyl]-N-methylbenzamide (PubChem CID 42540179) has the molecular formula C19H19FN4O2 and a molecular weight of 354.39 g/mol. Its IUPAC name is 4-[[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl-methylamino]methyl]-N-methylbenzamide.

Molecular Properties

Compound Name4-[[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl-methylamino]methyl]-N-methylbenzamide
PubChem CID42540179
Molecular FormulaC19H19FN4O2
Molecular Weight354.39 g/mol
Exact Mass354.15
IUPAC Name4-[[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl-methylamino]methyl]-N-methylbenzamide
SMILESCNC(=O)c1ccc(CN(C)Cc2nc(-c3ccc(F)cc3)no2)cc1
InChIInChI=1S/C19H19FN4O2/c1-21-19(25)15-5-3-13(4-6-15)11-24(2)12-17-22-18(23-26-17)14-7-9-16(20)10-8-14/h3-10H,11-12H2,1-2H3,(H,21,25)
InChIKeyLFPWIUHBACBODQ-UHFFFAOYSA-N
XLogP2.87
TPSA71.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.39
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[[[3-(4-bromothiophen-2-yl)-1,2,4-oxadiazol-5-yl]methyl-methylamino]methyl]-N-methylbenzamide
CID 55912584
4-[5-(chloromethyl)-1,2,4-oxadiazol-3-yl]-N-methylbenzamide
CID 25219267
N-methyl-4-[[methyl-[(5-methyl-1,2-oxazol-3-yl)methyl]amino]methyl]benzamide
CID 37213866
methyl 4-[[3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]propanoyl-methylamino]methyl]benzoate
CID 37415048
3-[[3-(4-ethylphenyl)-1,2,4-oxadiazol-5-yl]methyl-methylamino]propanoic acid;hydrochloride
CID 119912306
methyl 4-[5-[[methyl(thiophen-3-ylmethyl)amino]methyl]-1,2,4-oxadiazol-3-yl]benzoate
CID 42378286
4-[[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl-methylamino]methyl]-N-methylbenzamide
CID 134058321
1-(5-chlorothiophen-2-yl)-N-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methylmethanamine
CID 26509756
N-[4-(5-benzyl-1,2,4-oxadiazol-3-yl)phenyl]-4-fluorobenzamide
CID 17052840
methyl 4-[5-[[methyl(quinoxalin-6-ylmethyl)amino]methyl]-1,2,4-oxadiazol-3-yl]benzoate
CID 42196053
N-methyl-4-[5-[4-(methylamino)butyl]-1,2,4-oxadiazol-3-yl]benzamide
CID 154660937
5-(4-fluorophenyl)-N-methyl-N-[[4-(methylcarbamoyl)phenyl]methyl]furan-2-carboxamide
CID 8967449

Frequently Asked Questions

What is the IUPAC name of 4-[[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl-methylamino]methyl]-N-methylbenzamide?
The IUPAC name of 4-[[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl-methylamino]methyl]-N-methylbenzamide (CID 42540179) is 4-[[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl-methylamino]methyl]-N-methylbenzamide.
What is the SMILES notation for 4-[[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl-methylamino]methyl]-N-methylbenzamide?
The canonical SMILES for 4-[[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl-methylamino]methyl]-N-methylbenzamide is CNC(=O)c1ccc(CN(C)Cc2nc(-c3ccc(F)cc3)no2)cc1.
What is the InChIKey of 4-[[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl-methylamino]methyl]-N-methylbenzamide?
The InChIKey is LFPWIUHBACBODQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19FN4O2/c1-21-19(25)15-5-3-13(4-6-15)11-24(2)12-17-22-18(23-26-17)14-7-9-16(20)10-8-14/h3-10H,11-12H2,1-2H3,(H,21,25).
What are the key properties of 4-[[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl-methylamino]methyl]-N-methylbenzamide?
4-[[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl-methylamino]methyl]-N-methylbenzamide has a molecular weight of 354.39 g/mol, XLogP of 2.87, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl-methylamino]methyl]-N-methylbenzamide is sourced from PubChem (CID 42540179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).