5-anthracen-1-yloxadiazole

C16H10N2O — CID 173144030

IUPAC5-anthracen-1-yloxadiazole
SMILESc1ccc2cc3c(-c4cnno4)cccc3cc2c1
InChIInChI=1S/C16H10N2O/c1-2-5-12-9-15-13(8-11(12)4-1)6-3-7-14(15)16-10-17-18-19-16/h1-10H
InChIKeyYHYGPOXCJHKLBU-UHFFFAOYSA-N
MW246.27 g/mol
LogP4.04
Rot. Bonds1

About 5-anthracen-1-yloxadiazole

5-anthracen-1-yloxadiazole (PubChem CID 173144030) has the molecular formula C16H10N2O and a molecular weight of 246.27 g/mol. Its IUPAC name is 5-anthracen-1-yloxadiazole.

Molecular Properties

Compound Name5-anthracen-1-yloxadiazole
PubChem CID173144030
Molecular FormulaC16H10N2O
Molecular Weight246.27 g/mol
Exact Mass246.08
IUPAC Name5-anthracen-1-yloxadiazole
SMILESc1ccc2cc3c(-c4cnno4)cccc3cc2c1
InChIInChI=1S/C16H10N2O/c1-2-5-12-9-15-13(8-11(12)4-1)6-3-7-14(15)16-10-17-18-19-16/h1-10H
InChIKeyYHYGPOXCJHKLBU-UHFFFAOYSA-N
XLogP4.04
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.27
LogP ≤ 54.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-anthracen-1-yloxadiazole?
The IUPAC name of 5-anthracen-1-yloxadiazole (CID 173144030) is 5-anthracen-1-yloxadiazole.
What is the SMILES notation for 5-anthracen-1-yloxadiazole?
The canonical SMILES for 5-anthracen-1-yloxadiazole is c1ccc2cc3c(-c4cnno4)cccc3cc2c1.
What is the InChIKey of 5-anthracen-1-yloxadiazole?
The InChIKey is YHYGPOXCJHKLBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10N2O/c1-2-5-12-9-15-13(8-11(12)4-1)6-3-7-14(15)16-10-17-18-19-16/h1-10H.
What are the key properties of 5-anthracen-1-yloxadiazole?
5-anthracen-1-yloxadiazole has a molecular weight of 246.27 g/mol, XLogP of 4.04, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-anthracen-1-yloxadiazole is sourced from PubChem (CID 173144030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).