6-benzyl-3-methyl-4-phenyl-[1,2]oxazolo[3,4-d]pyridazin-7-one

C19H15N3O2 — CID 14873184

IUPAC6-benzyl-3-methyl-4-phenyl-[1,2]oxazolo[3,4-d]pyridazin-7-one
SMILESCc1onc2c(=O)n(Cc3ccccc3)nc(-c3ccccc3)c12
InChIInChI=1S/C19H15N3O2/c1-13-16-17(15-10-6-3-7-11-15)20-22(19(23)18(16)21-24-13)12-14-8-4-2-5-9-14/h2-11H,12H2,1H3
InChIKeyVANNSFZGPZOOJN-UHFFFAOYSA-N
MW317.35 g/mol
LogP3.41
Rot. Bonds3

About 6-benzyl-3-methyl-4-phenyl-[1,2]oxazolo[3,4-d]pyridazin-7-one

6-benzyl-3-methyl-4-phenyl-[1,2]oxazolo[3,4-d]pyridazin-7-one (PubChem CID 14873184) has the molecular formula C19H15N3O2 and a molecular weight of 317.35 g/mol. Its IUPAC name is 6-benzyl-3-methyl-4-phenyl-[1,2]oxazolo[3,4-d]pyridazin-7-one.

Molecular Properties

Compound Name6-benzyl-3-methyl-4-phenyl-[1,2]oxazolo[3,4-d]pyridazin-7-one
PubChem CID14873184
Molecular FormulaC19H15N3O2
Molecular Weight317.35 g/mol
Exact Mass317.12
IUPAC Name6-benzyl-3-methyl-4-phenyl-[1,2]oxazolo[3,4-d]pyridazin-7-one
SMILESCc1onc2c(=O)n(Cc3ccccc3)nc(-c3ccccc3)c12
InChIInChI=1S/C19H15N3O2/c1-13-16-17(15-10-6-3-7-11-15)20-22(19(23)18(16)21-24-13)12-14-8-4-2-5-9-14/h2-11H,12H2,1H3
InChIKeyVANNSFZGPZOOJN-UHFFFAOYSA-N
XLogP3.41
TPSA60.92 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.35
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-benzyl-3-methyl-4-phenyl-[1,2]oxazolo[3,4-d]pyridazin-7-one?
The IUPAC name of 6-benzyl-3-methyl-4-phenyl-[1,2]oxazolo[3,4-d]pyridazin-7-one (CID 14873184) is 6-benzyl-3-methyl-4-phenyl-[1,2]oxazolo[3,4-d]pyridazin-7-one.
What is the SMILES notation for 6-benzyl-3-methyl-4-phenyl-[1,2]oxazolo[3,4-d]pyridazin-7-one?
The canonical SMILES for 6-benzyl-3-methyl-4-phenyl-[1,2]oxazolo[3,4-d]pyridazin-7-one is Cc1onc2c(=O)n(Cc3ccccc3)nc(-c3ccccc3)c12.
What is the InChIKey of 6-benzyl-3-methyl-4-phenyl-[1,2]oxazolo[3,4-d]pyridazin-7-one?
The InChIKey is VANNSFZGPZOOJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15N3O2/c1-13-16-17(15-10-6-3-7-11-15)20-22(19(23)18(16)21-24-13)12-14-8-4-2-5-9-14/h2-11H,12H2,1H3.
What are the key properties of 6-benzyl-3-methyl-4-phenyl-[1,2]oxazolo[3,4-d]pyridazin-7-one?
6-benzyl-3-methyl-4-phenyl-[1,2]oxazolo[3,4-d]pyridazin-7-one has a molecular weight of 317.35 g/mol, XLogP of 3.41, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-benzyl-3-methyl-4-phenyl-[1,2]oxazolo[3,4-d]pyridazin-7-one is sourced from PubChem (CID 14873184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).