4,5-dinaphthalen-1-yloxadiazole

C22H14N2O — CID 23033114

IUPAC4,5-dinaphthalen-1-yloxadiazole
SMILESc1ccc2c(-c3nnoc3-c3cccc4ccccc34)cccc2c1
InChIInChI=1S/C22H14N2O/c1-3-11-17-15(7-1)9-5-13-19(17)21-22(25-24-23-21)20-14-6-10-16-8-2-4-12-18(16)20/h1-14H
InChIKeyMIKDGEKZPJSVPL-UHFFFAOYSA-N
MW322.37 g/mol
LogP5.71
Rot. Bonds2

About 4,5-dinaphthalen-1-yloxadiazole

4,5-dinaphthalen-1-yloxadiazole (PubChem CID 23033114) has the molecular formula C22H14N2O and a molecular weight of 322.37 g/mol. Its IUPAC name is 4,5-dinaphthalen-1-yloxadiazole.

Molecular Properties

Compound Name4,5-dinaphthalen-1-yloxadiazole
PubChem CID23033114
Molecular FormulaC22H14N2O
Molecular Weight322.37 g/mol
Exact Mass322.11
IUPAC Name4,5-dinaphthalen-1-yloxadiazole
SMILESc1ccc2c(-c3nnoc3-c3cccc4ccccc34)cccc2c1
InChIInChI=1S/C22H14N2O/c1-3-11-17-15(7-1)9-5-13-19(17)21-22(25-24-23-21)20-14-6-10-16-8-2-4-12-18(16)20/h1-14H
InChIKeyMIKDGEKZPJSVPL-UHFFFAOYSA-N
XLogP5.71
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500322.37
LogP ≤ 55.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4,5-dinaphthalen-1-yloxadiazole?
The IUPAC name of 4,5-dinaphthalen-1-yloxadiazole (CID 23033114) is 4,5-dinaphthalen-1-yloxadiazole.
What is the SMILES notation for 4,5-dinaphthalen-1-yloxadiazole?
The canonical SMILES for 4,5-dinaphthalen-1-yloxadiazole is c1ccc2c(-c3nnoc3-c3cccc4ccccc34)cccc2c1.
What is the InChIKey of 4,5-dinaphthalen-1-yloxadiazole?
The InChIKey is MIKDGEKZPJSVPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H14N2O/c1-3-11-17-15(7-1)9-5-13-19(17)21-22(25-24-23-21)20-14-6-10-16-8-2-4-12-18(16)20/h1-14H.
What are the key properties of 4,5-dinaphthalen-1-yloxadiazole?
4,5-dinaphthalen-1-yloxadiazole has a molecular weight of 322.37 g/mol, XLogP of 5.71, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dinaphthalen-1-yloxadiazole is sourced from PubChem (CID 23033114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).