3-(1,3-benzodioxol-5-yl)-5-pyridin-2-yl-1,4,2-dioxazole

C14H10N2O4 — CID 54578711

IUPAC3-(1,3-benzodioxol-5-yl)-5-pyridin-2-yl-1,4,2-dioxazole
SMILESc1ccc(C2ON=C(c3ccc4c(c3)OCO4)O2)nc1
InChIInChI=1S/C14H10N2O4/c1-2-6-15-10(3-1)14-19-13(16-20-14)9-4-5-11-12(7-9)18-8-17-11/h1-7,14H,8H2
InChIKeyMQBYETZXMMOZRY-UHFFFAOYSA-N
MW270.24 g/mol
LogP2.22
Rot. Bonds2

About 3-(1,3-benzodioxol-5-yl)-5-pyridin-2-yl-1,4,2-dioxazole

3-(1,3-benzodioxol-5-yl)-5-pyridin-2-yl-1,4,2-dioxazole (PubChem CID 54578711) has the molecular formula C14H10N2O4 and a molecular weight of 270.24 g/mol. Its IUPAC name is 3-(1,3-benzodioxol-5-yl)-5-pyridin-2-yl-1,4,2-dioxazole.

Molecular Properties

Compound Name3-(1,3-benzodioxol-5-yl)-5-pyridin-2-yl-1,4,2-dioxazole
PubChem CID54578711
Molecular FormulaC14H10N2O4
Molecular Weight270.24 g/mol
Exact Mass270.06
IUPAC Name3-(1,3-benzodioxol-5-yl)-5-pyridin-2-yl-1,4,2-dioxazole
SMILESc1ccc(C2ON=C(c3ccc4c(c3)OCO4)O2)nc1
InChIInChI=1S/C14H10N2O4/c1-2-6-15-10(3-1)14-19-13(16-20-14)9-4-5-11-12(7-9)18-8-17-11/h1-7,14H,8H2
InChIKeyMQBYETZXMMOZRY-UHFFFAOYSA-N
XLogP2.22
TPSA62.17 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.24
LogP ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(1,3-benzodioxol-5-yl)-5-pyridin-2-yl-1,4,2-dioxazole?
The IUPAC name of 3-(1,3-benzodioxol-5-yl)-5-pyridin-2-yl-1,4,2-dioxazole (CID 54578711) is 3-(1,3-benzodioxol-5-yl)-5-pyridin-2-yl-1,4,2-dioxazole.
What is the SMILES notation for 3-(1,3-benzodioxol-5-yl)-5-pyridin-2-yl-1,4,2-dioxazole?
The canonical SMILES for 3-(1,3-benzodioxol-5-yl)-5-pyridin-2-yl-1,4,2-dioxazole is c1ccc(C2ON=C(c3ccc4c(c3)OCO4)O2)nc1.
What is the InChIKey of 3-(1,3-benzodioxol-5-yl)-5-pyridin-2-yl-1,4,2-dioxazole?
The InChIKey is MQBYETZXMMOZRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10N2O4/c1-2-6-15-10(3-1)14-19-13(16-20-14)9-4-5-11-12(7-9)18-8-17-11/h1-7,14H,8H2.
What are the key properties of 3-(1,3-benzodioxol-5-yl)-5-pyridin-2-yl-1,4,2-dioxazole?
3-(1,3-benzodioxol-5-yl)-5-pyridin-2-yl-1,4,2-dioxazole has a molecular weight of 270.24 g/mol, XLogP of 2.22, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,3-benzodioxol-5-yl)-5-pyridin-2-yl-1,4,2-dioxazole is sourced from PubChem (CID 54578711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).