7-(4-fluorophenyl)-3-methyl-5H-[1,2]oxazolo[4,5-d]pyridazin-4-one

C12H8FN3O2 — CID 126665990

IUPAC7-(4-fluorophenyl)-3-methyl-5H-[1,2]oxazolo[4,5-d]pyridazin-4-one
SMILESCc1noc2c(-c3ccc(F)cc3)n[nH]c(=O)c12
InChIInChI=1S/C12H8FN3O2/c1-6-9-11(18-16-6)10(14-15-12(9)17)7-2-4-8(13)5-3-7/h2-5H,1H3,(H,15,17)
InChIKeyYNIAPGVHVZBRSD-UHFFFAOYSA-N
MW245.21 g/mol
LogP2.03
Rot. Bonds1

About 7-(4-fluorophenyl)-3-methyl-5H-[1,2]oxazolo[4,5-d]pyridazin-4-one

7-(4-fluorophenyl)-3-methyl-5H-[1,2]oxazolo[4,5-d]pyridazin-4-one (PubChem CID 126665990) has the molecular formula C12H8FN3O2 and a molecular weight of 245.21 g/mol. Its IUPAC name is 7-(4-fluorophenyl)-3-methyl-5H-[1,2]oxazolo[4,5-d]pyridazin-4-one.

Molecular Properties

Compound Name7-(4-fluorophenyl)-3-methyl-5H-[1,2]oxazolo[4,5-d]pyridazin-4-one
PubChem CID126665990
Molecular FormulaC12H8FN3O2
Molecular Weight245.21 g/mol
Exact Mass245.06
IUPAC Name7-(4-fluorophenyl)-3-methyl-5H-[1,2]oxazolo[4,5-d]pyridazin-4-one
SMILESCc1noc2c(-c3ccc(F)cc3)n[nH]c(=O)c12
InChIInChI=1S/C12H8FN3O2/c1-6-9-11(18-16-6)10(14-15-12(9)17)7-2-4-8(13)5-3-7/h2-5H,1H3,(H,15,17)
InChIKeyYNIAPGVHVZBRSD-UHFFFAOYSA-N
XLogP2.03
TPSA71.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.21
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-(4-fluorophenyl)-3-methyl-5H-[1,2]oxazolo[4,5-d]pyridazin-4-one?
The IUPAC name of 7-(4-fluorophenyl)-3-methyl-5H-[1,2]oxazolo[4,5-d]pyridazin-4-one (CID 126665990) is 7-(4-fluorophenyl)-3-methyl-5H-[1,2]oxazolo[4,5-d]pyridazin-4-one.
What is the SMILES notation for 7-(4-fluorophenyl)-3-methyl-5H-[1,2]oxazolo[4,5-d]pyridazin-4-one?
The canonical SMILES for 7-(4-fluorophenyl)-3-methyl-5H-[1,2]oxazolo[4,5-d]pyridazin-4-one is Cc1noc2c(-c3ccc(F)cc3)n[nH]c(=O)c12.
What is the InChIKey of 7-(4-fluorophenyl)-3-methyl-5H-[1,2]oxazolo[4,5-d]pyridazin-4-one?
The InChIKey is YNIAPGVHVZBRSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8FN3O2/c1-6-9-11(18-16-6)10(14-15-12(9)17)7-2-4-8(13)5-3-7/h2-5H,1H3,(H,15,17).
What are the key properties of 7-(4-fluorophenyl)-3-methyl-5H-[1,2]oxazolo[4,5-d]pyridazin-4-one?
7-(4-fluorophenyl)-3-methyl-5H-[1,2]oxazolo[4,5-d]pyridazin-4-one has a molecular weight of 245.21 g/mol, XLogP of 2.03, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(4-fluorophenyl)-3-methyl-5H-[1,2]oxazolo[4,5-d]pyridazin-4-one is sourced from PubChem (CID 126665990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).