7-[3-(2,3-dihydro-[1,4]dioxino[2,3-b]pyridin-7-yl)-1,2,4-oxadiazol-5-yl]-2,3-dihydro-[1,4]dioxino[2,3-c]pyridine

C16H12N4O5 — CID 166243753

IUPAC7-[3-(2,3-dihydro-[1,4]dioxino[2,3-b]pyridin-7-yl)-1,2,4-oxadiazol-5-yl]-2,3-dihydro-[1,4]dioxino[2,3-c]pyridine
SMILESc1nc2c(cc1-c1noc(-c3cc4c(cn3)OCCO4)n1)OCCO2
InChIInChI=1S/C16H12N4O5/c1-2-23-13-8-17-10(6-11(13)21-1)15-19-14(20-25-15)9-5-12-16(18-7-9)24-4-3-22-12/h5-8H,1-4H2
InChIKeyXNFNPNZSLSONBK-UHFFFAOYSA-N
MW340.30 g/mol
LogP1.74
Rot. Bonds2

About 7-[3-(2,3-dihydro-[1,4]dioxino[2,3-b]pyridin-7-yl)-1,2,4-oxadiazol-5-yl]-2,3-dihydro-[1,4]dioxino[2,3-c]pyridine

7-[3-(2,3-dihydro-[1,4]dioxino[2,3-b]pyridin-7-yl)-1,2,4-oxadiazol-5-yl]-2,3-dihydro-[1,4]dioxino[2,3-c]pyridine (PubChem CID 166243753) has the molecular formula C16H12N4O5 and a molecular weight of 340.30 g/mol. Its IUPAC name is 7-[3-(2,3-dihydro-[1,4]dioxino[2,3-b]pyridin-7-yl)-1,2,4-oxadiazol-5-yl]-2,3-dihydro-[1,4]dioxino[2,3-c]pyridine.

Molecular Properties

Compound Name7-[3-(2,3-dihydro-[1,4]dioxino[2,3-b]pyridin-7-yl)-1,2,4-oxadiazol-5-yl]-2,3-dihydro-[1,4]dioxino[2,3-c]pyridine
PubChem CID166243753
Molecular FormulaC16H12N4O5
Molecular Weight340.30 g/mol
Exact Mass340.08
IUPAC Name7-[3-(2,3-dihydro-[1,4]dioxino[2,3-b]pyridin-7-yl)-1,2,4-oxadiazol-5-yl]-2,3-dihydro-[1,4]dioxino[2,3-c]pyridine
SMILESc1nc2c(cc1-c1noc(-c3cc4c(cn3)OCCO4)n1)OCCO2
InChIInChI=1S/C16H12N4O5/c1-2-23-13-8-17-10(6-11(13)21-1)15-19-14(20-25-15)9-5-12-16(18-7-9)24-4-3-22-12/h5-8H,1-4H2
InChIKeyXNFNPNZSLSONBK-UHFFFAOYSA-N
XLogP1.74
TPSA101.62 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.30
LogP ≤ 51.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze 7-[3-(2,3-dihydro-[1,4]dioxino[2,3-b]pyridin-7-yl)-1,2,4-oxadiazol-5-yl]-2,3-dihydro-[1,4]dioxino[2,3-c]pyridine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 7-[3-(2,3-dihydro-[1,4]dioxino[2,3-b]pyridin-7-yl)-1,2,4-oxadiazol-5-yl]-2,3-dihydro-[1,4]dioxino[2,3-c]pyridine?
The IUPAC name of 7-[3-(2,3-dihydro-[1,4]dioxino[2,3-b]pyridin-7-yl)-1,2,4-oxadiazol-5-yl]-2,3-dihydro-[1,4]dioxino[2,3-c]pyridine (CID 166243753) is 7-[3-(2,3-dihydro-[1,4]dioxino[2,3-b]pyridin-7-yl)-1,2,4-oxadiazol-5-yl]-2,3-dihydro-[1,4]dioxino[2,3-c]pyridine.
What is the SMILES notation for 7-[3-(2,3-dihydro-[1,4]dioxino[2,3-b]pyridin-7-yl)-1,2,4-oxadiazol-5-yl]-2,3-dihydro-[1,4]dioxino[2,3-c]pyridine?
The canonical SMILES for 7-[3-(2,3-dihydro-[1,4]dioxino[2,3-b]pyridin-7-yl)-1,2,4-oxadiazol-5-yl]-2,3-dihydro-[1,4]dioxino[2,3-c]pyridine is c1nc2c(cc1-c1noc(-c3cc4c(cn3)OCCO4)n1)OCCO2.
What is the InChIKey of 7-[3-(2,3-dihydro-[1,4]dioxino[2,3-b]pyridin-7-yl)-1,2,4-oxadiazol-5-yl]-2,3-dihydro-[1,4]dioxino[2,3-c]pyridine?
The InChIKey is XNFNPNZSLSONBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12N4O5/c1-2-23-13-8-17-10(6-11(13)21-1)15-19-14(20-25-15)9-5-12-16(18-7-9)24-4-3-22-12/h5-8H,1-4H2.
What are the key properties of 7-[3-(2,3-dihydro-[1,4]dioxino[2,3-b]pyridin-7-yl)-1,2,4-oxadiazol-5-yl]-2,3-dihydro-[1,4]dioxino[2,3-c]pyridine?
7-[3-(2,3-dihydro-[1,4]dioxino[2,3-b]pyridin-7-yl)-1,2,4-oxadiazol-5-yl]-2,3-dihydro-[1,4]dioxino[2,3-c]pyridine has a molecular weight of 340.30 g/mol, XLogP of 1.74, 2 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[3-(2,3-dihydro-[1,4]dioxino[2,3-b]pyridin-7-yl)-1,2,4-oxadiazol-5-yl]-2,3-dihydro-[1,4]dioxino[2,3-c]pyridine is sourced from PubChem (CID 166243753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).