3,4-diphenyl-6H-[1,2]oxazolo[3,4-d]pyridazin-7-one

C17H11N3O2 — CID 54613569

IUPAC3,4-diphenyl-6H-[1,2]oxazolo[3,4-d]pyridazin-7-one
SMILESO=c1[nH]nc(-c2ccccc2)c2c(-c3ccccc3)onc12
InChIInChI=1S/C17H11N3O2/c21-17-15-13(14(18-19-17)11-7-3-1-4-8-11)16(22-20-15)12-9-5-2-6-10-12/h1-10H,(H,19,21)
InChIKeyAZCISMTZBICDFR-UHFFFAOYSA-N
MW289.29 g/mol
LogP3.25
Rot. Bonds2

About 3,4-diphenyl-6H-[1,2]oxazolo[3,4-d]pyridazin-7-one

3,4-diphenyl-6H-[1,2]oxazolo[3,4-d]pyridazin-7-one (PubChem CID 54613569) has the molecular formula C17H11N3O2 and a molecular weight of 289.29 g/mol. Its IUPAC name is 3,4-diphenyl-6H-[1,2]oxazolo[3,4-d]pyridazin-7-one.

Molecular Properties

Compound Name3,4-diphenyl-6H-[1,2]oxazolo[3,4-d]pyridazin-7-one
PubChem CID54613569
Molecular FormulaC17H11N3O2
Molecular Weight289.29 g/mol
Exact Mass289.09
IUPAC Name3,4-diphenyl-6H-[1,2]oxazolo[3,4-d]pyridazin-7-one
SMILESO=c1[nH]nc(-c2ccccc2)c2c(-c3ccccc3)onc12
InChIInChI=1S/C17H11N3O2/c21-17-15-13(14(18-19-17)11-7-3-1-4-8-11)16(22-20-15)12-9-5-2-6-10-12/h1-10H,(H,19,21)
InChIKeyAZCISMTZBICDFR-UHFFFAOYSA-N
XLogP3.25
TPSA71.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.29
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3,4-diphenyl-6H-[1,2]oxazolo[3,4-d]pyridazin-7-one?
The IUPAC name of 3,4-diphenyl-6H-[1,2]oxazolo[3,4-d]pyridazin-7-one (CID 54613569) is 3,4-diphenyl-6H-[1,2]oxazolo[3,4-d]pyridazin-7-one.
What is the SMILES notation for 3,4-diphenyl-6H-[1,2]oxazolo[3,4-d]pyridazin-7-one?
The canonical SMILES for 3,4-diphenyl-6H-[1,2]oxazolo[3,4-d]pyridazin-7-one is O=c1[nH]nc(-c2ccccc2)c2c(-c3ccccc3)onc12.
What is the InChIKey of 3,4-diphenyl-6H-[1,2]oxazolo[3,4-d]pyridazin-7-one?
The InChIKey is AZCISMTZBICDFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11N3O2/c21-17-15-13(14(18-19-17)11-7-3-1-4-8-11)16(22-20-15)12-9-5-2-6-10-12/h1-10H,(H,19,21).
What are the key properties of 3,4-diphenyl-6H-[1,2]oxazolo[3,4-d]pyridazin-7-one?
3,4-diphenyl-6H-[1,2]oxazolo[3,4-d]pyridazin-7-one has a molecular weight of 289.29 g/mol, XLogP of 3.25, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-diphenyl-6H-[1,2]oxazolo[3,4-d]pyridazin-7-one is sourced from PubChem (CID 54613569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).