2-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-(3,4,5-trimethoxyphenyl)-1,3,4-oxadiazole

C19H18N2O6 — CID 56671863

IUPAC2-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-(3,4,5-trimethoxyphenyl)-1,3,4-oxadiazole
SMILESCOc1cc(-c2nnc(-c3ccc4c(c3)OCCO4)o2)cc(OC)c1OC
InChIInChI=1S/C19H18N2O6/c1-22-15-9-12(10-16(23-2)17(15)24-3)19-21-20-18(27-19)11-4-5-13-14(8-11)26-7-6-25-13/h4-5,8-10H,6-7H2,1-3H3
InChIKeyVJVNWOXVWGOQNF-UHFFFAOYSA-N
MW370.36 g/mol
LogP3.20
Rot. Bonds5

About 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-(3,4,5-trimethoxyphenyl)-1,3,4-oxadiazole

2-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-(3,4,5-trimethoxyphenyl)-1,3,4-oxadiazole (PubChem CID 56671863) has the molecular formula C19H18N2O6 and a molecular weight of 370.36 g/mol. Its IUPAC name is 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-(3,4,5-trimethoxyphenyl)-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-(3,4,5-trimethoxyphenyl)-1,3,4-oxadiazole
PubChem CID56671863
Molecular FormulaC19H18N2O6
Molecular Weight370.36 g/mol
Exact Mass370.12
IUPAC Name2-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-(3,4,5-trimethoxyphenyl)-1,3,4-oxadiazole
SMILESCOc1cc(-c2nnc(-c3ccc4c(c3)OCCO4)o2)cc(OC)c1OC
InChIInChI=1S/C19H18N2O6/c1-22-15-9-12(10-16(23-2)17(15)24-3)19-21-20-18(27-19)11-4-5-13-14(8-11)26-7-6-25-13/h4-5,8-10H,6-7H2,1-3H3
InChIKeyVJVNWOXVWGOQNF-UHFFFAOYSA-N
XLogP3.20
TPSA85.07 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.36
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-(3,4,5-trimethoxyphenyl)-1,3,4-oxadiazole?
The IUPAC name of 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-(3,4,5-trimethoxyphenyl)-1,3,4-oxadiazole (CID 56671863) is 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-(3,4,5-trimethoxyphenyl)-1,3,4-oxadiazole.
What is the SMILES notation for 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-(3,4,5-trimethoxyphenyl)-1,3,4-oxadiazole?
The canonical SMILES for 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-(3,4,5-trimethoxyphenyl)-1,3,4-oxadiazole is COc1cc(-c2nnc(-c3ccc4c(c3)OCCO4)o2)cc(OC)c1OC.
What is the InChIKey of 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-(3,4,5-trimethoxyphenyl)-1,3,4-oxadiazole?
The InChIKey is VJVNWOXVWGOQNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O6/c1-22-15-9-12(10-16(23-2)17(15)24-3)19-21-20-18(27-19)11-4-5-13-14(8-11)26-7-6-25-13/h4-5,8-10H,6-7H2,1-3H3.
What are the key properties of 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-(3,4,5-trimethoxyphenyl)-1,3,4-oxadiazole?
2-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-(3,4,5-trimethoxyphenyl)-1,3,4-oxadiazole has a molecular weight of 370.36 g/mol, XLogP of 3.20, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-(3,4,5-trimethoxyphenyl)-1,3,4-oxadiazole is sourced from PubChem (CID 56671863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).