5-(1,3-benzodioxol-5-yl)-3-phenyl-1,2,4-oxadiazole

C15H10N2O3 — CID 6458298

IUPAC5-(1,3-benzodioxol-5-yl)-3-phenyl-1,2,4-oxadiazole
SMILESc1ccc(-c2noc(-c3ccc4c(c3)OCO4)n2)cc1
InChIInChI=1S/C15H10N2O3/c1-2-4-10(5-3-1)14-16-15(20-17-14)11-6-7-12-13(8-11)19-9-18-12/h1-8H,9H2
InChIKeyIYXQDONPMWOHJU-UHFFFAOYSA-N
MW266.26 g/mol
LogP3.13
Rot. Bonds2

About 5-(1,3-benzodioxol-5-yl)-3-phenyl-1,2,4-oxadiazole

5-(1,3-benzodioxol-5-yl)-3-phenyl-1,2,4-oxadiazole (PubChem CID 6458298) has the molecular formula C15H10N2O3 and a molecular weight of 266.26 g/mol. Its IUPAC name is 5-(1,3-benzodioxol-5-yl)-3-phenyl-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-(1,3-benzodioxol-5-yl)-3-phenyl-1,2,4-oxadiazole
PubChem CID6458298
Molecular FormulaC15H10N2O3
Molecular Weight266.26 g/mol
Exact Mass266.07
IUPAC Name5-(1,3-benzodioxol-5-yl)-3-phenyl-1,2,4-oxadiazole
SMILESc1ccc(-c2noc(-c3ccc4c(c3)OCO4)n2)cc1
InChIInChI=1S/C15H10N2O3/c1-2-4-10(5-3-1)14-16-15(20-17-14)11-6-7-12-13(8-11)19-9-18-12/h1-8H,9H2
InChIKeyIYXQDONPMWOHJU-UHFFFAOYSA-N
XLogP3.13
TPSA57.38 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.26
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

5-(3-Methoxyphenyl)-3-phenyl-1,2,4-oxadiazole
CID 619837
5-(1,3-Benzodioxol-5-yl)-3-(3-methylphenyl)-1,2,4-oxadiazole
CID 893001
N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-N-prop-2-enyl-1,3-benzodioxole-5-carboxamide
CID 6494897
3-(3,4-Dimethoxybenzyl)-5-(3,4-dimethoxyphenyl)-1,2,4-oxadiazole
CID 645424
5-(3,5-Dimethoxyphenyl)-3-phenyl-1,2,4-oxadiazole
CID 868065
3-(4-Chlorobenzyl)-5-(3,4-dimethoxyphenyl)-1,2,4-oxadiazole
CID 883674
5-(3,4-Diethoxyphenyl)-3-phenyl-1,2,4-oxadiazole
CID 3156036
5-(4-Methoxyphenyl)-3-(2-methylphenyl)-1,2,4-oxadiazole
CID 5152913
3-(4-Iodophenyl)-5-(4-methoxyphenyl)-1,2,4-oxadiazole
CID 44560736
5-(4-Methoxyphenyl)-3-phenyl-1,2,4-oxadiazole
CID 583994
5-(3-Chlorophenyl)-3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazole
CID 655985
3-(2-Methoxyphenyl)-5-(3,4,5-trimethoxyphenyl)-1,2,4-oxadiazole
CID 666344

Frequently Asked Questions

What is the IUPAC name of 5-(1,3-benzodioxol-5-yl)-3-phenyl-1,2,4-oxadiazole?
The IUPAC name of 5-(1,3-benzodioxol-5-yl)-3-phenyl-1,2,4-oxadiazole (CID 6458298) is 5-(1,3-benzodioxol-5-yl)-3-phenyl-1,2,4-oxadiazole.
What is the SMILES notation for 5-(1,3-benzodioxol-5-yl)-3-phenyl-1,2,4-oxadiazole?
The canonical SMILES for 5-(1,3-benzodioxol-5-yl)-3-phenyl-1,2,4-oxadiazole is c1ccc(-c2noc(-c3ccc4c(c3)OCO4)n2)cc1.
What is the InChIKey of 5-(1,3-benzodioxol-5-yl)-3-phenyl-1,2,4-oxadiazole?
The InChIKey is IYXQDONPMWOHJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10N2O3/c1-2-4-10(5-3-1)14-16-15(20-17-14)11-6-7-12-13(8-11)19-9-18-12/h1-8H,9H2.
What are the key properties of 5-(1,3-benzodioxol-5-yl)-3-phenyl-1,2,4-oxadiazole?
5-(1,3-benzodioxol-5-yl)-3-phenyl-1,2,4-oxadiazole has a molecular weight of 266.26 g/mol, XLogP of 3.13, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1,3-benzodioxol-5-yl)-3-phenyl-1,2,4-oxadiazole is sourced from PubChem (CID 6458298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).