3-(1,3-benzodioxol-5-yl)-5-[1-(1,3-benzodioxol-5-yl)propyl]-1,2,4-oxadiazole

C19H16N2O5 — CID 166327587

IUPAC3-(1,3-benzodioxol-5-yl)-5-[1-(1,3-benzodioxol-5-yl)propyl]-1,2,4-oxadiazole
SMILESCCC(c1ccc2c(c1)OCO2)c1nc(-c2ccc3c(c2)OCO3)no1
InChIInChI=1S/C19H16N2O5/c1-2-13(11-3-5-14-16(7-11)24-9-22-14)19-20-18(21-26-19)12-4-6-15-17(8-12)25-10-23-15/h3-8,13H,2,9-10H2,1H3
InChIKeyYSSKDGHFALLQIM-UHFFFAOYSA-N
MW352.35 g/mol
LogP3.74
Rot. Bonds4

About 3-(1,3-benzodioxol-5-yl)-5-[1-(1,3-benzodioxol-5-yl)propyl]-1,2,4-oxadiazole

3-(1,3-benzodioxol-5-yl)-5-[1-(1,3-benzodioxol-5-yl)propyl]-1,2,4-oxadiazole (PubChem CID 166327587) has the molecular formula C19H16N2O5 and a molecular weight of 352.35 g/mol. Its IUPAC name is 3-(1,3-benzodioxol-5-yl)-5-[1-(1,3-benzodioxol-5-yl)propyl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-(1,3-benzodioxol-5-yl)-5-[1-(1,3-benzodioxol-5-yl)propyl]-1,2,4-oxadiazole
PubChem CID166327587
Molecular FormulaC19H16N2O5
Molecular Weight352.35 g/mol
Exact Mass352.11
IUPAC Name3-(1,3-benzodioxol-5-yl)-5-[1-(1,3-benzodioxol-5-yl)propyl]-1,2,4-oxadiazole
SMILESCCC(c1ccc2c(c1)OCO2)c1nc(-c2ccc3c(c2)OCO3)no1
InChIInChI=1S/C19H16N2O5/c1-2-13(11-3-5-14-16(7-11)24-9-22-14)19-20-18(21-26-19)12-4-6-15-17(8-12)25-10-23-15/h3-8,13H,2,9-10H2,1H3
InChIKeyYSSKDGHFALLQIM-UHFFFAOYSA-N
XLogP3.74
TPSA75.84 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.35
LogP ≤ 53.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 3-(1,3-benzodioxol-5-yl)-5-[1-(1,3-benzodioxol-5-yl)propyl]-1,2,4-oxadiazole with MolForge

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Related Compounds

1-[3-(1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-5-yl]-2-methylbutan-1-amine
CID 83281006
N-[1-[3-(1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-5-yl]-2-methylbutyl]furan-2-carboxamide
CID 91635492
3-(4-methylphenyl)-5-[(1S)-1-phenylpropyl]-1,2,4-oxadiazole
CID 803156
3-(1,3-benzodioxol-5-yl)-1,2,4-oxadiazole-5-carboxylic acid
CID 28806099
1-[[1-[3-(1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-5-yl]-2-methylbutyl]amino]-3-prop-2-ynoxypropan-2-ol
CID 46015564
3-(4-methoxyphenyl)-5-(1-phenylpropyl)-1,2,4-oxadiazole
CID 2923172
(2S)-1-[[(1R,2S)-1-[3-(1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-5-yl]-2-methylbutyl]amino]-3-(2-methylphenoxy)propan-2-ol
CID 93181587
N-[2-[3-(1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-5-yl]ethyl]-N-butan-2-yl-3-phenylpropanamide
CID 83281479
N-[1-[3-(1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-5-yl]-2-methylpropyl]-3-phenylprop-2-enamide
CID 171136426
3-(1,3-benzodioxol-5-yl)-5-(pyridazin-3-ylsulfanylmethyl)-1,2,4-oxadiazole
CID 172796336
7-[5-(1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-3-yl]-4-ethyl-1H-quinoxaline-2,3-dione
CID 53005944
3-[3-(1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-5-yl]-1H-pyridazin-6-one
CID 91895139

Frequently Asked Questions

What is the IUPAC name of 3-(1,3-benzodioxol-5-yl)-5-[1-(1,3-benzodioxol-5-yl)propyl]-1,2,4-oxadiazole?
The IUPAC name of 3-(1,3-benzodioxol-5-yl)-5-[1-(1,3-benzodioxol-5-yl)propyl]-1,2,4-oxadiazole (CID 166327587) is 3-(1,3-benzodioxol-5-yl)-5-[1-(1,3-benzodioxol-5-yl)propyl]-1,2,4-oxadiazole.
What is the SMILES notation for 3-(1,3-benzodioxol-5-yl)-5-[1-(1,3-benzodioxol-5-yl)propyl]-1,2,4-oxadiazole?
The canonical SMILES for 3-(1,3-benzodioxol-5-yl)-5-[1-(1,3-benzodioxol-5-yl)propyl]-1,2,4-oxadiazole is CCC(c1ccc2c(c1)OCO2)c1nc(-c2ccc3c(c2)OCO3)no1.
What is the InChIKey of 3-(1,3-benzodioxol-5-yl)-5-[1-(1,3-benzodioxol-5-yl)propyl]-1,2,4-oxadiazole?
The InChIKey is YSSKDGHFALLQIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N2O5/c1-2-13(11-3-5-14-16(7-11)24-9-22-14)19-20-18(21-26-19)12-4-6-15-17(8-12)25-10-23-15/h3-8,13H,2,9-10H2,1H3.
What are the key properties of 3-(1,3-benzodioxol-5-yl)-5-[1-(1,3-benzodioxol-5-yl)propyl]-1,2,4-oxadiazole?
3-(1,3-benzodioxol-5-yl)-5-[1-(1,3-benzodioxol-5-yl)propyl]-1,2,4-oxadiazole has a molecular weight of 352.35 g/mol, XLogP of 3.74, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,3-benzodioxol-5-yl)-5-[1-(1,3-benzodioxol-5-yl)propyl]-1,2,4-oxadiazole is sourced from PubChem (CID 166327587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).