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

C15H20N4O2 — CID 134058321

IUPAC4-[[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl-methylamino]methyl]-N-methylbenzamide
SMILESCCc1nnc(CN(C)Cc2ccc(C(=O)NC)cc2)o1
InChIInChI=1S/C15H20N4O2/c1-4-13-17-18-14(21-13)10-19(3)9-11-5-7-12(8-6-11)15(20)16-2/h5-8H,4,9-10H2,1-3H3,(H,16,20)
InChIKeyZACZSBBZROVTJQ-UHFFFAOYSA-N
MW288.35 g/mol
LogP1.62
Rot. Bonds6

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

4-[[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl-methylamino]methyl]-N-methylbenzamide (PubChem CID 134058321) has the molecular formula C15H20N4O2 and a molecular weight of 288.35 g/mol. Its IUPAC name is 4-[[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl-methylamino]methyl]-N-methylbenzamide.

Molecular Properties

Compound Name4-[[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl-methylamino]methyl]-N-methylbenzamide
PubChem CID134058321
Molecular FormulaC15H20N4O2
Molecular Weight288.35 g/mol
Exact Mass288.16
IUPAC Name4-[[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl-methylamino]methyl]-N-methylbenzamide
SMILESCCc1nnc(CN(C)Cc2ccc(C(=O)NC)cc2)o1
InChIInChI=1S/C15H20N4O2/c1-4-13-17-18-14(21-13)10-19(3)9-11-5-7-12(8-6-11)15(20)16-2/h5-8H,4,9-10H2,1-3H3,(H,16,20)
InChIKeyZACZSBBZROVTJQ-UHFFFAOYSA-N
XLogP1.62
TPSA71.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-methyl-4-[[methyl-[[4-(trifluoromethyl)phenyl]methyl]amino]methyl]benzamide
CID 42540672
4-[[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl-methylamino]methyl]-N-methylbenzamide
CID 42540179
N-methyl-4-[[methyl-[(5-methyl-1,2-oxazol-3-yl)methyl]amino]methyl]benzamide
CID 37213866
methyl 3-[methyl-[[4-(methylcarbamoyl)phenyl]methyl]amino]propanoate
CID 37215555
4-[[[3-(carbamoylamino)-3-oxopropyl]-methylamino]methyl]-N-methylbenzamide
CID 42540850
4-[[[3-(4-bromothiophen-2-yl)-1,2,4-oxadiazol-5-yl]methyl-methylamino]methyl]-N-methylbenzamide
CID 55912584
4-[[[2-(dipropylamino)-2-oxoethyl]-methylamino]methyl]-N-methylbenzamide
CID 9125581
4-[[ethylsulfonyl(methyl)amino]methyl]-N-methylbenzamide
CID 47371529
4-[[(4-imidazol-1-ylphenyl)methyl-methylamino]methyl]-N-methylbenzamide
CID 138041303
4-[[(2-tert-butyl-1,3-thiazol-4-yl)methyl-methylamino]methyl]-N-methylbenzamide
CID 37218056
4-[[2-bromopropanoyl(methyl)amino]methyl]-N-methylbenzamide
CID 114014417
4-[[2-(4-chlorophenyl)sulfanylethyl-methylamino]methyl]-N-methylbenzamide
CID 9124093

Frequently Asked Questions

What is the IUPAC name of 4-[[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl-methylamino]methyl]-N-methylbenzamide?
The IUPAC name of 4-[[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl-methylamino]methyl]-N-methylbenzamide (CID 134058321) is 4-[[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl-methylamino]methyl]-N-methylbenzamide.
What is the SMILES notation for 4-[[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl-methylamino]methyl]-N-methylbenzamide?
The canonical SMILES for 4-[[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl-methylamino]methyl]-N-methylbenzamide is CCc1nnc(CN(C)Cc2ccc(C(=O)NC)cc2)o1.
What is the InChIKey of 4-[[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl-methylamino]methyl]-N-methylbenzamide?
The InChIKey is ZACZSBBZROVTJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O2/c1-4-13-17-18-14(21-13)10-19(3)9-11-5-7-12(8-6-11)15(20)16-2/h5-8H,4,9-10H2,1-3H3,(H,16,20).
What are the key properties of 4-[[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl-methylamino]methyl]-N-methylbenzamide?
4-[[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl-methylamino]methyl]-N-methylbenzamide has a molecular weight of 288.35 g/mol, XLogP of 1.62, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl-methylamino]methyl]-N-methylbenzamide is sourced from PubChem (CID 134058321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).