1,3-benzodioxol-5-ylmethyl-[[3-(1,3-benzodioxol-5-yl)-1,2-oxazol-5-yl]methyl]azanium

C19H17N2O5+ — CID 7357343

IUPAC1,3-benzodioxol-5-ylmethyl-[[3-(1,3-benzodioxol-5-yl)-1,2-oxazol-5-yl]methyl]azanium
SMILESc1cc2c(cc1C[NH2+]Cc1cc(-c3ccc4c(c3)OCO4)no1)OCO2
InChIInChI=1S/C19H16N2O5/c1-3-16-18(24-10-22-16)5-12(1)8-20-9-14-7-15(21-26-14)13-2-4-17-19(6-13)25-11-23-17/h1-7,20H,8-11H2/p+1
InChIKeyCOXJRCVZGOQYBZ-UHFFFAOYSA-O
MW353.35 g/mol
LogP2.06
Rot. Bonds5

About 1,3-benzodioxol-5-ylmethyl-[[3-(1,3-benzodioxol-5-yl)-1,2-oxazol-5-yl]methyl]azanium

1,3-benzodioxol-5-ylmethyl-[[3-(1,3-benzodioxol-5-yl)-1,2-oxazol-5-yl]methyl]azanium (PubChem CID 7357343) has the molecular formula C19H17N2O5+ and a molecular weight of 353.35 g/mol. Its IUPAC name is 1,3-benzodioxol-5-ylmethyl-[[3-(1,3-benzodioxol-5-yl)-1,2-oxazol-5-yl]methyl]azanium.

Molecular Properties

Compound Name1,3-benzodioxol-5-ylmethyl-[[3-(1,3-benzodioxol-5-yl)-1,2-oxazol-5-yl]methyl]azanium
PubChem CID7357343
Molecular FormulaC19H17N2O5+
Molecular Weight353.35 g/mol
Exact Mass353.11
IUPAC Name1,3-benzodioxol-5-ylmethyl-[[3-(1,3-benzodioxol-5-yl)-1,2-oxazol-5-yl]methyl]azanium
SMILESc1cc2c(cc1C[NH2+]Cc1cc(-c3ccc4c(c3)OCO4)no1)OCO2
InChIInChI=1S/C19H16N2O5/c1-3-16-18(24-10-22-16)5-12(1)8-20-9-14-7-15(21-26-14)13-2-4-17-19(6-13)25-11-23-17/h1-7,20H,8-11H2/p+1
InChIKeyCOXJRCVZGOQYBZ-UHFFFAOYSA-O
XLogP2.06
TPSA79.56 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.35
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1,3-benzodioxol-5-ylmethyl-[[3-(1,3-benzodioxol-5-yl)-1,2-oxazol-5-yl]methyl]azanium with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[[3-(1,3-benzodioxol-5-yl)-1,2-oxazol-5-yl]methyl]-1-pyridin-3-ylmethanamine
CID 5306415
3-(1,3-benzodioxol-5-yl)-1,2-oxazole-5-carboxamide
CID 3146119
2-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,2-oxazol-5-yl]ethanol
CID 65017848
N-(1,3-benzodioxol-5-ylmethyl)-N-[(3-phenyl-1,2-oxazol-5-yl)methyl]cyclopentanamine
CID 30588730
[4-[4-(1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]phenyl]methanamine
CID 39197619
[6-(1,3-benzodioxol-5-yl)-3-pyridinyl]methanamine
CID 83918221
N-[[3-(4-chlorophenyl)-1,2-oxazol-5-yl]methyl]-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-methylmethanamine
CID 46534858
1,3-benzodioxol-5-ylmethyl(cyclopentyl)azanium
CID 4745321
2-(1,3-benzodioxol-5-yl)-4-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazole
CID 2811159
[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-[3-(4-fluorophenyl)-1,2-oxazol-5-yl]methanone
CID 17096062
1,3-benzodioxol-5-ylmethyl-[(5-chloro-2-ethoxyphenyl)methyl]azanium
CID 7201411
2-(1,3-benzodioxol-5-yl)ethyl-[(3-bromophenyl)methyl]azanium
CID 2053262

Frequently Asked Questions

What is the IUPAC name of 1,3-benzodioxol-5-ylmethyl-[[3-(1,3-benzodioxol-5-yl)-1,2-oxazol-5-yl]methyl]azanium?
The IUPAC name of 1,3-benzodioxol-5-ylmethyl-[[3-(1,3-benzodioxol-5-yl)-1,2-oxazol-5-yl]methyl]azanium (CID 7357343) is 1,3-benzodioxol-5-ylmethyl-[[3-(1,3-benzodioxol-5-yl)-1,2-oxazol-5-yl]methyl]azanium.
What is the SMILES notation for 1,3-benzodioxol-5-ylmethyl-[[3-(1,3-benzodioxol-5-yl)-1,2-oxazol-5-yl]methyl]azanium?
The canonical SMILES for 1,3-benzodioxol-5-ylmethyl-[[3-(1,3-benzodioxol-5-yl)-1,2-oxazol-5-yl]methyl]azanium is c1cc2c(cc1C[NH2+]Cc1cc(-c3ccc4c(c3)OCO4)no1)OCO2.
What is the InChIKey of 1,3-benzodioxol-5-ylmethyl-[[3-(1,3-benzodioxol-5-yl)-1,2-oxazol-5-yl]methyl]azanium?
The InChIKey is COXJRCVZGOQYBZ-UHFFFAOYSA-O. The full InChI is InChI=1S/C19H16N2O5/c1-3-16-18(24-10-22-16)5-12(1)8-20-9-14-7-15(21-26-14)13-2-4-17-19(6-13)25-11-23-17/h1-7,20H,8-11H2/p+1.
What are the key properties of 1,3-benzodioxol-5-ylmethyl-[[3-(1,3-benzodioxol-5-yl)-1,2-oxazol-5-yl]methyl]azanium?
1,3-benzodioxol-5-ylmethyl-[[3-(1,3-benzodioxol-5-yl)-1,2-oxazol-5-yl]methyl]azanium has a molecular weight of 353.35 g/mol, XLogP of 2.06, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-benzodioxol-5-ylmethyl-[[3-(1,3-benzodioxol-5-yl)-1,2-oxazol-5-yl]methyl]azanium is sourced from PubChem (CID 7357343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).