5-methyl-2-phenyl-3H-1,2,3-benzoxadiazole

C13H12N2O — CID 175723831

IUPAC5-methyl-2-phenyl-3H-1,2,3-benzoxadiazole
SMILESCc1ccc2c(c1)NN(c1ccccc1)O2
InChIInChI=1S/C13H12N2O/c1-10-7-8-13-12(9-10)14-15(16-13)11-5-3-2-4-6-11/h2-9,14H,1H3
InChIKeyMSSPQAAGCGDOES-UHFFFAOYSA-N
MW212.25 g/mol
LogP3.14
Rot. Bonds1

About 5-methyl-2-phenyl-3H-1,2,3-benzoxadiazole

5-methyl-2-phenyl-3H-1,2,3-benzoxadiazole (PubChem CID 175723831) has the molecular formula C13H12N2O and a molecular weight of 212.25 g/mol. Its IUPAC name is 5-methyl-2-phenyl-3H-1,2,3-benzoxadiazole.

Molecular Properties

Compound Name5-methyl-2-phenyl-3H-1,2,3-benzoxadiazole
PubChem CID175723831
Molecular FormulaC13H12N2O
Molecular Weight212.25 g/mol
Exact Mass212.09
IUPAC Name5-methyl-2-phenyl-3H-1,2,3-benzoxadiazole
SMILESCc1ccc2c(c1)NN(c1ccccc1)O2
InChIInChI=1S/C13H12N2O/c1-10-7-8-13-12(9-10)14-15(16-13)11-5-3-2-4-6-11/h2-9,14H,1H3
InChIKeyMSSPQAAGCGDOES-UHFFFAOYSA-N
XLogP3.14
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.25
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-phenyl-3H-1,2,3-benzoxadiazole?
The IUPAC name of 5-methyl-2-phenyl-3H-1,2,3-benzoxadiazole (CID 175723831) is 5-methyl-2-phenyl-3H-1,2,3-benzoxadiazole.
What is the SMILES notation for 5-methyl-2-phenyl-3H-1,2,3-benzoxadiazole?
The canonical SMILES for 5-methyl-2-phenyl-3H-1,2,3-benzoxadiazole is Cc1ccc2c(c1)NN(c1ccccc1)O2.
What is the InChIKey of 5-methyl-2-phenyl-3H-1,2,3-benzoxadiazole?
The InChIKey is MSSPQAAGCGDOES-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2O/c1-10-7-8-13-12(9-10)14-15(16-13)11-5-3-2-4-6-11/h2-9,14H,1H3.
What are the key properties of 5-methyl-2-phenyl-3H-1,2,3-benzoxadiazole?
5-methyl-2-phenyl-3H-1,2,3-benzoxadiazole has a molecular weight of 212.25 g/mol, XLogP of 3.14, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-phenyl-3H-1,2,3-benzoxadiazole is sourced from PubChem (CID 175723831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).