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

C18H22N6O2 — CID 56702642

IUPAC3-[[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl-methylamino]methyl]-N-(1-methylimidazol-2-yl)benzamide
SMILESCCc1nnc(CN(C)Cc2cccc(C(=O)Nc3nccn3C)c2)o1
InChIInChI=1S/C18H22N6O2/c1-4-15-21-22-16(26-15)12-23(2)11-13-6-5-7-14(10-13)17(25)20-18-19-8-9-24(18)3/h5-10H,4,11-12H2,1-3H3,(H,19,20,25)
InChIKeyIHGVFMDRENIZEQ-UHFFFAOYSA-N
MW354.41 g/mol
LogP2.25
Rot. Bonds7

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

3-[[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl-methylamino]methyl]-N-(1-methylimidazol-2-yl)benzamide (PubChem CID 56702642) has the molecular formula C18H22N6O2 and a molecular weight of 354.41 g/mol. Its IUPAC name is 3-[[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl-methylamino]methyl]-N-(1-methylimidazol-2-yl)benzamide.

Molecular Properties

Compound Name3-[[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl-methylamino]methyl]-N-(1-methylimidazol-2-yl)benzamide
PubChem CID56702642
Molecular FormulaC18H22N6O2
Molecular Weight354.41 g/mol
Exact Mass354.18
IUPAC Name3-[[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl-methylamino]methyl]-N-(1-methylimidazol-2-yl)benzamide
SMILESCCc1nnc(CN(C)Cc2cccc(C(=O)Nc3nccn3C)c2)o1
InChIInChI=1S/C18H22N6O2/c1-4-15-21-22-16(26-15)12-23(2)11-13-6-5-7-14(10-13)17(25)20-18-19-8-9-24(18)3/h5-10H,4,11-12H2,1-3H3,(H,19,20,25)
InChIKeyIHGVFMDRENIZEQ-UHFFFAOYSA-N
XLogP2.25
TPSA89.08 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.41
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

3-[(dimethylamino)methyl]-N-(1-methylimidazol-2-yl)benzamide
CID 134708040
N-(1-methylimidazol-2-yl)-3-[[methyl-[(1R)-1-pyridin-2-ylethyl]amino]methyl]benzamide
CID 95224048
4-[[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl-methylamino]methyl]-N-methylbenzamide
CID 134058321
N-(2,6-difluorophenyl)-3-[[methyl-[(1-methylpyrazol-4-yl)methyl]amino]methyl]benzamide
CID 50959414
N-(1,4-dimethylpyrazol-5-yl)-3-[[methyl(pyrazin-2-ylmethyl)amino]methyl]benzamide
CID 50973884
4-hydroxy-3,5-dimethyl-N-(1-methylimidazol-2-yl)benzamide
CID 21109027
3-[[methyl(2-pyrazol-1-ylethyl)amino]methyl]benzoic acid
CID 136550505
3-[[ethyl(pyridin-4-ylmethyl)amino]methyl]-N-(1-methyl-1,2,4-triazol-3-yl)benzamide
CID 50971333
N-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-N-methyl-3-(1,2,4-triazol-4-yl)benzamide
CID 72844673
3-[[[(2S)-2,3-dihydro-1-benzofuran-2-yl]methyl-methylamino]methyl]-N-(1-methyltriazol-4-yl)benzamide
CID 95226303
1,1-dimethyl-3-(1-methylimidazol-2-yl)urea
CID 110470347
3-[[butyl(methyl)amino]methyl]benzohydrazide
CID 63569748

Frequently Asked Questions

What is the IUPAC name of 3-[[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl-methylamino]methyl]-N-(1-methylimidazol-2-yl)benzamide?
The IUPAC name of 3-[[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl-methylamino]methyl]-N-(1-methylimidazol-2-yl)benzamide (CID 56702642) is 3-[[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl-methylamino]methyl]-N-(1-methylimidazol-2-yl)benzamide.
What is the SMILES notation for 3-[[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl-methylamino]methyl]-N-(1-methylimidazol-2-yl)benzamide?
The canonical SMILES for 3-[[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl-methylamino]methyl]-N-(1-methylimidazol-2-yl)benzamide is CCc1nnc(CN(C)Cc2cccc(C(=O)Nc3nccn3C)c2)o1.
What is the InChIKey of 3-[[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl-methylamino]methyl]-N-(1-methylimidazol-2-yl)benzamide?
The InChIKey is IHGVFMDRENIZEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N6O2/c1-4-15-21-22-16(26-15)12-23(2)11-13-6-5-7-14(10-13)17(25)20-18-19-8-9-24(18)3/h5-10H,4,11-12H2,1-3H3,(H,19,20,25).
What are the key properties of 3-[[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl-methylamino]methyl]-N-(1-methylimidazol-2-yl)benzamide?
3-[[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl-methylamino]methyl]-N-(1-methylimidazol-2-yl)benzamide has a molecular weight of 354.41 g/mol, XLogP of 2.25, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl-methylamino]methyl]-N-(1-methylimidazol-2-yl)benzamide is sourced from PubChem (CID 56702642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).