5-[[2-(1,3-benzodioxol-5-yloxy)propanoylamino]methyl]-N-methyl-1,2,4-oxadiazole-3-carboxamide

C15H16N4O6 — CID 118791795

IUPAC5-[[2-(1,3-benzodioxol-5-yloxy)propanoylamino]methyl]-N-methyl-1,2,4-oxadiazole-3-carboxamide
SMILESCNC(=O)c1noc(CNC(=O)C(C)Oc2ccc3c(c2)OCO3)n1
InChIInChI=1S/C15H16N4O6/c1-8(24-9-3-4-10-11(5-9)23-7-22-10)14(20)17-6-12-18-13(19-25-12)15(21)16-2/h3-5,8H,6-7H2,1-2H3,(H,16,21)(H,17,20)
InChIKeyQVCJZRSNJZJHPG-UHFFFAOYSA-N
MW348.32 g/mol
LogP0.24
Rot. Bonds6

About 5-[[2-(1,3-benzodioxol-5-yloxy)propanoylamino]methyl]-N-methyl-1,2,4-oxadiazole-3-carboxamide

5-[[2-(1,3-benzodioxol-5-yloxy)propanoylamino]methyl]-N-methyl-1,2,4-oxadiazole-3-carboxamide (PubChem CID 118791795) has the molecular formula C15H16N4O6 and a molecular weight of 348.32 g/mol. Its IUPAC name is 5-[[2-(1,3-benzodioxol-5-yloxy)propanoylamino]methyl]-N-methyl-1,2,4-oxadiazole-3-carboxamide.

Molecular Properties

Compound Name5-[[2-(1,3-benzodioxol-5-yloxy)propanoylamino]methyl]-N-methyl-1,2,4-oxadiazole-3-carboxamide
PubChem CID118791795
Molecular FormulaC15H16N4O6
Molecular Weight348.32 g/mol
Exact Mass348.11
IUPAC Name5-[[2-(1,3-benzodioxol-5-yloxy)propanoylamino]methyl]-N-methyl-1,2,4-oxadiazole-3-carboxamide
SMILESCNC(=O)c1noc(CNC(=O)C(C)Oc2ccc3c(c2)OCO3)n1
InChIInChI=1S/C15H16N4O6/c1-8(24-9-3-4-10-11(5-9)23-7-22-10)14(20)17-6-12-18-13(19-25-12)15(21)16-2/h3-5,8H,6-7H2,1-2H3,(H,16,21)(H,17,20)
InChIKeyQVCJZRSNJZJHPG-UHFFFAOYSA-N
XLogP0.24
TPSA124.81 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.32
LogP ≤ 50.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 5-[[2-(1,3-benzodioxol-5-yloxy)propanoylamino]methyl]-N-methyl-1,2,4-oxadiazole-3-carboxamide with MolForge

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Related Compounds

(2S)-2-(1,3-benzodioxol-5-yloxy)-N-[(4-methoxyphenyl)methyl]propanamide
CID 2126779
(2R)-2-(1,3-benzodioxol-5-yloxy)-N-(5-methyl-1,2-oxazol-3-yl)propanamide
CID 41176932
2-(1,3-benzodioxol-5-yloxy)-N-[[3-(2-methylpropyl)imidazol-4-yl]methyl]propanamide
CID 135102133
(2S)-N-(1,3-benzodioxol-5-ylmethyl)-2-(4-cyanophenoxy)propanamide
CID 7858145
N-(1,3-benzodioxol-5-ylmethyl)-2-(4-tert-butylphenoxy)propanamide
CID 4615514
(2S)-N-(1,3-benzodioxol-5-ylmethyl)-2-(4-propanoylphenoxy)propanamide
CID 8604764
methyl 2-(1,3-benzodioxol-5-yloxy)propanoate
CID 4507465
(3S)-3-(1,3-benzodioxol-5-yloxy)butan-2-one
CID 6934005
1-[[(2R)-2-(1,3-benzodioxol-5-yloxy)propanoyl]amino]-3-ethylthiourea
CID 40654746
(2S)-N-(1,3-benzodioxol-5-ylmethyl)-2-(4-chloro-3,5-dimethylphenoxy)propanamide
CID 1306650
2-(1,3-benzodioxol-5-yloxy)-N-[(3-pyridin-3-ylpyrazin-2-yl)methyl]propanamide
CID 122246687
N-(1,3-benzodioxol-5-ylmethyl)-2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]propanamide
CID 17490684

Frequently Asked Questions

What is the IUPAC name of 5-[[2-(1,3-benzodioxol-5-yloxy)propanoylamino]methyl]-N-methyl-1,2,4-oxadiazole-3-carboxamide?
The IUPAC name of 5-[[2-(1,3-benzodioxol-5-yloxy)propanoylamino]methyl]-N-methyl-1,2,4-oxadiazole-3-carboxamide (CID 118791795) is 5-[[2-(1,3-benzodioxol-5-yloxy)propanoylamino]methyl]-N-methyl-1,2,4-oxadiazole-3-carboxamide.
What is the SMILES notation for 5-[[2-(1,3-benzodioxol-5-yloxy)propanoylamino]methyl]-N-methyl-1,2,4-oxadiazole-3-carboxamide?
The canonical SMILES for 5-[[2-(1,3-benzodioxol-5-yloxy)propanoylamino]methyl]-N-methyl-1,2,4-oxadiazole-3-carboxamide is CNC(=O)c1noc(CNC(=O)C(C)Oc2ccc3c(c2)OCO3)n1.
What is the InChIKey of 5-[[2-(1,3-benzodioxol-5-yloxy)propanoylamino]methyl]-N-methyl-1,2,4-oxadiazole-3-carboxamide?
The InChIKey is QVCJZRSNJZJHPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4O6/c1-8(24-9-3-4-10-11(5-9)23-7-22-10)14(20)17-6-12-18-13(19-25-12)15(21)16-2/h3-5,8H,6-7H2,1-2H3,(H,16,21)(H,17,20).
What are the key properties of 5-[[2-(1,3-benzodioxol-5-yloxy)propanoylamino]methyl]-N-methyl-1,2,4-oxadiazole-3-carboxamide?
5-[[2-(1,3-benzodioxol-5-yloxy)propanoylamino]methyl]-N-methyl-1,2,4-oxadiazole-3-carboxamide has a molecular weight of 348.32 g/mol, XLogP of 0.24, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[2-(1,3-benzodioxol-5-yloxy)propanoylamino]methyl]-N-methyl-1,2,4-oxadiazole-3-carboxamide is sourced from PubChem (CID 118791795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).