5-(1,3-benzodioxol-5-yl)-3-(6-pyrazol-1-yl-3-pyridinyl)-1,2,4-oxadiazole

C17H11N5O3 — CID 53171737

IUPAC5-(1,3-benzodioxol-5-yl)-3-(6-pyrazol-1-yl-3-pyridinyl)-1,2,4-oxadiazole
SMILESc1cnn(-c2ccc(-c3noc(-c4ccc5c(c4)OCO5)n3)cn2)c1
InChIInChI=1S/C17H11N5O3/c1-6-19-22(7-1)15-5-3-12(9-18-15)16-20-17(25-21-16)11-2-4-13-14(8-11)24-10-23-13/h1-9H,10H2
InChIKeyWCJIAQJWANEMSJ-UHFFFAOYSA-N
MW333.31 g/mol
LogP2.71
Rot. Bonds3

About 5-(1,3-benzodioxol-5-yl)-3-(6-pyrazol-1-yl-3-pyridinyl)-1,2,4-oxadiazole

5-(1,3-benzodioxol-5-yl)-3-(6-pyrazol-1-yl-3-pyridinyl)-1,2,4-oxadiazole (PubChem CID 53171737) has the molecular formula C17H11N5O3 and a molecular weight of 333.31 g/mol. Its IUPAC name is 5-(1,3-benzodioxol-5-yl)-3-(6-pyrazol-1-yl-3-pyridinyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-(1,3-benzodioxol-5-yl)-3-(6-pyrazol-1-yl-3-pyridinyl)-1,2,4-oxadiazole
PubChem CID53171737
Molecular FormulaC17H11N5O3
Molecular Weight333.31 g/mol
Exact Mass333.09
IUPAC Name5-(1,3-benzodioxol-5-yl)-3-(6-pyrazol-1-yl-3-pyridinyl)-1,2,4-oxadiazole
SMILESc1cnn(-c2ccc(-c3noc(-c4ccc5c(c4)OCO5)n3)cn2)c1
InChIInChI=1S/C17H11N5O3/c1-6-19-22(7-1)15-5-3-12(9-18-15)16-20-17(25-21-16)11-2-4-13-14(8-11)24-10-23-13/h1-9H,10H2
InChIKeyWCJIAQJWANEMSJ-UHFFFAOYSA-N
XLogP2.71
TPSA88.09 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.31
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 5-(1,3-benzodioxol-5-yl)-3-(6-pyrazol-1-yl-3-pyridinyl)-1,2,4-oxadiazole?
The IUPAC name of 5-(1,3-benzodioxol-5-yl)-3-(6-pyrazol-1-yl-3-pyridinyl)-1,2,4-oxadiazole (CID 53171737) is 5-(1,3-benzodioxol-5-yl)-3-(6-pyrazol-1-yl-3-pyridinyl)-1,2,4-oxadiazole.
What is the SMILES notation for 5-(1,3-benzodioxol-5-yl)-3-(6-pyrazol-1-yl-3-pyridinyl)-1,2,4-oxadiazole?
The canonical SMILES for 5-(1,3-benzodioxol-5-yl)-3-(6-pyrazol-1-yl-3-pyridinyl)-1,2,4-oxadiazole is c1cnn(-c2ccc(-c3noc(-c4ccc5c(c4)OCO5)n3)cn2)c1.
What is the InChIKey of 5-(1,3-benzodioxol-5-yl)-3-(6-pyrazol-1-yl-3-pyridinyl)-1,2,4-oxadiazole?
The InChIKey is WCJIAQJWANEMSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11N5O3/c1-6-19-22(7-1)15-5-3-12(9-18-15)16-20-17(25-21-16)11-2-4-13-14(8-11)24-10-23-13/h1-9H,10H2.
What are the key properties of 5-(1,3-benzodioxol-5-yl)-3-(6-pyrazol-1-yl-3-pyridinyl)-1,2,4-oxadiazole?
5-(1,3-benzodioxol-5-yl)-3-(6-pyrazol-1-yl-3-pyridinyl)-1,2,4-oxadiazole has a molecular weight of 333.31 g/mol, XLogP of 2.71, 3 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1,3-benzodioxol-5-yl)-3-(6-pyrazol-1-yl-3-pyridinyl)-1,2,4-oxadiazole is sourced from PubChem (CID 53171737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).