N-(1,3-benzodioxol-5-ylmethyl)-2-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)oxy]acetamide

C16H19N3O5 — CID 56783337

IUPACN-(1,3-benzodioxol-5-ylmethyl)-2-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)oxy]acetamide
SMILESCC(C)(C)c1noc(OCC(=O)NCc2ccc3c(c2)OCO3)n1
InChIInChI=1S/C16H19N3O5/c1-16(2,3)14-18-15(24-19-14)21-8-13(20)17-7-10-4-5-11-12(6-10)23-9-22-11/h4-6H,7-9H2,1-3H3,(H,17,20)
InChIKeyITJKUDBYESUTDQ-UHFFFAOYSA-N
MW333.34 g/mol
LogP1.79
Rot. Bonds5

About N-(1,3-benzodioxol-5-ylmethyl)-2-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)oxy]acetamide

N-(1,3-benzodioxol-5-ylmethyl)-2-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)oxy]acetamide (PubChem CID 56783337) has the molecular formula C16H19N3O5 and a molecular weight of 333.34 g/mol. Its IUPAC name is N-(1,3-benzodioxol-5-ylmethyl)-2-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)oxy]acetamide.

Molecular Properties

Compound NameN-(1,3-benzodioxol-5-ylmethyl)-2-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)oxy]acetamide
PubChem CID56783337
Molecular FormulaC16H19N3O5
Molecular Weight333.34 g/mol
Exact Mass333.13
IUPAC NameN-(1,3-benzodioxol-5-ylmethyl)-2-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)oxy]acetamide
SMILESCC(C)(C)c1noc(OCC(=O)NCc2ccc3c(c2)OCO3)n1
InChIInChI=1S/C16H19N3O5/c1-16(2,3)14-18-15(24-19-14)21-8-13(20)17-7-10-4-5-11-12(6-10)23-9-22-11/h4-6H,7-9H2,1-3H3,(H,17,20)
InChIKeyITJKUDBYESUTDQ-UHFFFAOYSA-N
XLogP1.79
TPSA95.71 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.34
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-(1,3-benzodioxol-5-ylmethyl)-2-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)oxy]acetamide with MolForge

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Related Compounds

N-(1,3-benzodioxol-5-ylmethyl)-2-(4-tert-butylphenoxy)acetamide
CID 721824
N-(1,3-benzodioxol-5-ylmethyl)-3,3-dimethylbutanamide
CID 670795
2-(4-tert-butylphenoxy)-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)acetamide
CID 27761157
N-(1,3-benzodioxol-5-ylmethyl)-2-(4-bromo-2-tert-butylphenoxy)acetamide
CID 1190323
N-(1,3-benzodioxol-5-ylmethyl)-2-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 110410345
N-(1,3-benzodioxol-5-ylmethyl)-2-(4-quinoxalin-2-ylphenoxy)acetamide
CID 53112175
[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxoethyl] (2S)-2-(4-tert-butylphenoxy)propanoate
CID 8985042
N-(1,3-benzodioxol-5-ylmethyl)-2-(tert-butylamino)acetamide
CID 27149961
N-(1,3-benzodioxol-5-ylmethyl)-2-(2,3,5-trimethylphenoxy)acetamide
CID 30715668
N-(1,3-benzodioxol-5-ylmethyl)-2-(3-methyl-4-propan-2-ylphenoxy)acetamide
CID 8712725
N-(1,3-benzodioxol-5-ylmethyl)-3-methyl-3-(methylamino)butanamide
CID 110838246
[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxoethyl] 3-(4-methoxyphenyl)propanoate
CID 2126274

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzodioxol-5-ylmethyl)-2-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)oxy]acetamide?
The IUPAC name of N-(1,3-benzodioxol-5-ylmethyl)-2-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)oxy]acetamide (CID 56783337) is N-(1,3-benzodioxol-5-ylmethyl)-2-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)oxy]acetamide.
What is the SMILES notation for N-(1,3-benzodioxol-5-ylmethyl)-2-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)oxy]acetamide?
The canonical SMILES for N-(1,3-benzodioxol-5-ylmethyl)-2-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)oxy]acetamide is CC(C)(C)c1noc(OCC(=O)NCc2ccc3c(c2)OCO3)n1.
What is the InChIKey of N-(1,3-benzodioxol-5-ylmethyl)-2-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)oxy]acetamide?
The InChIKey is ITJKUDBYESUTDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O5/c1-16(2,3)14-18-15(24-19-14)21-8-13(20)17-7-10-4-5-11-12(6-10)23-9-22-11/h4-6H,7-9H2,1-3H3,(H,17,20).
What are the key properties of N-(1,3-benzodioxol-5-ylmethyl)-2-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)oxy]acetamide?
N-(1,3-benzodioxol-5-ylmethyl)-2-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)oxy]acetamide has a molecular weight of 333.34 g/mol, XLogP of 1.79, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzodioxol-5-ylmethyl)-2-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)oxy]acetamide is sourced from PubChem (CID 56783337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).