N-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-N-methyl-4-(2-methylsulfanylimidazol-1-yl)benzamide

C17H19N5O2S — CID 56510089

IUPACN-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-N-methyl-4-(2-methylsulfanylimidazol-1-yl)benzamide
SMILESCCc1noc(CN(C)C(=O)c2ccc(-n3ccnc3SC)cc2)n1
InChIInChI=1S/C17H19N5O2S/c1-4-14-19-15(24-20-14)11-21(2)16(23)12-5-7-13(8-6-12)22-10-9-18-17(22)25-3/h5-10H,4,11H2,1-3H3
InChIKeyCFJSOWQTCLCPLV-UHFFFAOYSA-N
MW357.44 g/mol
LogP2.81
Rot. Bonds6

About N-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-N-methyl-4-(2-methylsulfanylimidazol-1-yl)benzamide

N-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-N-methyl-4-(2-methylsulfanylimidazol-1-yl)benzamide (PubChem CID 56510089) has the molecular formula C17H19N5O2S and a molecular weight of 357.44 g/mol. Its IUPAC name is N-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-N-methyl-4-(2-methylsulfanylimidazol-1-yl)benzamide.

Molecular Properties

Compound NameN-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-N-methyl-4-(2-methylsulfanylimidazol-1-yl)benzamide
PubChem CID56510089
Molecular FormulaC17H19N5O2S
Molecular Weight357.44 g/mol
Exact Mass357.13
IUPAC NameN-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-N-methyl-4-(2-methylsulfanylimidazol-1-yl)benzamide
SMILESCCc1noc(CN(C)C(=O)c2ccc(-n3ccnc3SC)cc2)n1
InChIInChI=1S/C17H19N5O2S/c1-4-14-19-15(24-20-14)11-21(2)16(23)12-5-7-13(8-6-12)22-10-9-18-17(22)25-3/h5-10H,4,11H2,1-3H3
InChIKeyCFJSOWQTCLCPLV-UHFFFAOYSA-N
XLogP2.81
TPSA77.05 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.44
LogP ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

N-[[4-(difluoromethoxy)phenyl]methyl]-N-methyl-4-(2-methylsulfanylimidazol-1-yl)benzamide
CID 55770626
N-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-N-methyl-1H-indole-6-carboxamide
CID 29027206
N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-N-methyl-4-(2-methylsulfanylimidazol-1-yl)benzamide
CID 55767153
N-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-N-methyl-4-(thiophen-2-ylmethylsulfamoyl)benzamide
CID 56510606
N-(2-hydroxyethyl)-N-methyl-3-(2-methylsulfanylimidazol-1-yl)benzamide
CID 110895206
N-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-2,4,5-trifluoro-3-hydroxy-N-methylbenzamide
CID 86789873
1-ethyl-N-methyl-2-oxo-N-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]pyridine-4-carboxamide
CID 131943602
N-methyl-3-(2-methylsulfanylimidazol-1-yl)-N-[(3-methylthiophen-2-yl)methyl]benzamide
CID 55773686
N-[(3-methoxyphenyl)methyl]-N-methyl-3-(2-methylsulfanylimidazol-1-yl)benzamide
CID 55770624
N-[(5-bromo-2-fluorophenyl)methyl]-N-methyl-3-(2-methylsulfanylimidazol-1-yl)benzamide
CID 55774651
4-(2,4-dioxoimidazolidin-1-yl)-N-ethyl-N-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]benzamide
CID 72896150
N-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-2,4,5-trimethoxy-N-methylbenzamide
CID 52886359

Frequently Asked Questions

What is the IUPAC name of N-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-N-methyl-4-(2-methylsulfanylimidazol-1-yl)benzamide?
The IUPAC name of N-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-N-methyl-4-(2-methylsulfanylimidazol-1-yl)benzamide (CID 56510089) is N-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-N-methyl-4-(2-methylsulfanylimidazol-1-yl)benzamide.
What is the SMILES notation for N-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-N-methyl-4-(2-methylsulfanylimidazol-1-yl)benzamide?
The canonical SMILES for N-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-N-methyl-4-(2-methylsulfanylimidazol-1-yl)benzamide is CCc1noc(CN(C)C(=O)c2ccc(-n3ccnc3SC)cc2)n1.
What is the InChIKey of N-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-N-methyl-4-(2-methylsulfanylimidazol-1-yl)benzamide?
The InChIKey is CFJSOWQTCLCPLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N5O2S/c1-4-14-19-15(24-20-14)11-21(2)16(23)12-5-7-13(8-6-12)22-10-9-18-17(22)25-3/h5-10H,4,11H2,1-3H3.
What are the key properties of N-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-N-methyl-4-(2-methylsulfanylimidazol-1-yl)benzamide?
N-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-N-methyl-4-(2-methylsulfanylimidazol-1-yl)benzamide has a molecular weight of 357.44 g/mol, XLogP of 2.81, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-N-methyl-4-(2-methylsulfanylimidazol-1-yl)benzamide is sourced from PubChem (CID 56510089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).