diethyl-[[2-[[[4-(1,3,4-oxadiazol-2-yl)benzoyl]amino]methyl]phenyl]methyl]azanium

C21H25N4O2+ — CID 9073963

IUPACdiethyl-[[2-[[[4-(1,3,4-oxadiazol-2-yl)benzoyl]amino]methyl]phenyl]methyl]azanium
SMILESCC[NH+](CC)Cc1ccccc1CNC(=O)c1ccc(-c2nnco2)cc1
InChIInChI=1S/C21H24N4O2/c1-3-25(4-2)14-19-8-6-5-7-18(19)13-22-20(26)16-9-11-17(12-10-16)21-24-23-15-27-21/h5-12,15H,3-4,13-14H2,1-2H3,(H,22,26)/p+1
InChIKeyCNOZTUYVCVFIJK-UHFFFAOYSA-O
MW365.46 g/mol
LogP2.09
Rot. Bonds8

About diethyl-[[2-[[[4-(1,3,4-oxadiazol-2-yl)benzoyl]amino]methyl]phenyl]methyl]azanium

diethyl-[[2-[[[4-(1,3,4-oxadiazol-2-yl)benzoyl]amino]methyl]phenyl]methyl]azanium (PubChem CID 9073963) has the molecular formula C21H25N4O2+ and a molecular weight of 365.46 g/mol. Its IUPAC name is diethyl-[[2-[[[4-(1,3,4-oxadiazol-2-yl)benzoyl]amino]methyl]phenyl]methyl]azanium.

Molecular Properties

Compound Namediethyl-[[2-[[[4-(1,3,4-oxadiazol-2-yl)benzoyl]amino]methyl]phenyl]methyl]azanium
PubChem CID9073963
Molecular FormulaC21H25N4O2+
Molecular Weight365.46 g/mol
Exact Mass365.20
IUPAC Namediethyl-[[2-[[[4-(1,3,4-oxadiazol-2-yl)benzoyl]amino]methyl]phenyl]methyl]azanium
SMILESCC[NH+](CC)Cc1ccccc1CNC(=O)c1ccc(-c2nnco2)cc1
InChIInChI=1S/C21H24N4O2/c1-3-25(4-2)14-19-8-6-5-7-18(19)13-22-20(26)16-9-11-17(12-10-16)21-24-23-15-27-21/h5-12,15H,3-4,13-14H2,1-2H3,(H,22,26)/p+1
InChIKeyCNOZTUYVCVFIJK-UHFFFAOYSA-O
XLogP2.09
TPSA72.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.46
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[2-[[(3,4-dimethylbenzoyl)amino]methyl]phenyl]methyl-diethylazanium
CID 9073183
[2-[[[4-(dimethylsulfamoyl)benzoyl]amino]methyl]phenyl]methyl-diethylazanium
CID 9073364
diethyl-[[2-[[(1-phenylpyrazole-4-carbonyl)amino]methyl]phenyl]methyl]azanium
CID 9074333
3-[[4-(1,3,4-oxadiazol-2-yl)benzoyl]amino]propanoic acid
CID 43354760
diethyl-[[2-[[[2-[[4-(trifluoromethyl)benzoyl]amino]acetyl]amino]methyl]phenyl]methyl]azanium
CID 9073334
N-(5-hydroxypentyl)-4-(1,3,4-oxadiazol-2-yl)benzamide
CID 107318774
N,N-diethyl-4-(1,3,4-oxadiazol-2-yl)benzamide
CID 60656525
4-(1,3,4-oxadiazol-2-yl)-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]benzamide
CID 8589526
N-[(1R,2R)-2-methylcyclohexyl]-4-(1,3,4-oxadiazol-2-yl)benzamide
CID 9084335
(2S)-N-[(2-chlorophenyl)methyl]-2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]propanamide
CID 8851774
2-fluoro-N'-[4-(1,3,4-oxadiazol-2-yl)benzoyl]benzohydrazide
CID 9084736
[2-[[(5-chloro-2-fluorobenzoyl)amino]methyl]phenyl]methyl-diethylazanium
CID 9074227

Frequently Asked Questions

What is the IUPAC name of diethyl-[[2-[[[4-(1,3,4-oxadiazol-2-yl)benzoyl]amino]methyl]phenyl]methyl]azanium?
The IUPAC name of diethyl-[[2-[[[4-(1,3,4-oxadiazol-2-yl)benzoyl]amino]methyl]phenyl]methyl]azanium (CID 9073963) is diethyl-[[2-[[[4-(1,3,4-oxadiazol-2-yl)benzoyl]amino]methyl]phenyl]methyl]azanium.
What is the SMILES notation for diethyl-[[2-[[[4-(1,3,4-oxadiazol-2-yl)benzoyl]amino]methyl]phenyl]methyl]azanium?
The canonical SMILES for diethyl-[[2-[[[4-(1,3,4-oxadiazol-2-yl)benzoyl]amino]methyl]phenyl]methyl]azanium is CC[NH+](CC)Cc1ccccc1CNC(=O)c1ccc(-c2nnco2)cc1.
What is the InChIKey of diethyl-[[2-[[[4-(1,3,4-oxadiazol-2-yl)benzoyl]amino]methyl]phenyl]methyl]azanium?
The InChIKey is CNOZTUYVCVFIJK-UHFFFAOYSA-O. The full InChI is InChI=1S/C21H24N4O2/c1-3-25(4-2)14-19-8-6-5-7-18(19)13-22-20(26)16-9-11-17(12-10-16)21-24-23-15-27-21/h5-12,15H,3-4,13-14H2,1-2H3,(H,22,26)/p+1.
What are the key properties of diethyl-[[2-[[[4-(1,3,4-oxadiazol-2-yl)benzoyl]amino]methyl]phenyl]methyl]azanium?
diethyl-[[2-[[[4-(1,3,4-oxadiazol-2-yl)benzoyl]amino]methyl]phenyl]methyl]azanium has a molecular weight of 365.46 g/mol, XLogP of 2.09, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl-[[2-[[[4-(1,3,4-oxadiazol-2-yl)benzoyl]amino]methyl]phenyl]methyl]azanium is sourced from PubChem (CID 9073963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).