6-[2-(2,4-difluorophenyl)-2-hydroxyethyl]-3,4-dimethyl-[1,2]oxazolo[3,4-d]pyridazin-7-one

C15H13F2N3O3 — CID 110921670

IUPAC6-[2-(2,4-difluorophenyl)-2-hydroxyethyl]-3,4-dimethyl-[1,2]oxazolo[3,4-d]pyridazin-7-one
SMILESCc1nn(CC(O)c2ccc(F)cc2F)c(=O)c2noc(C)c12
InChIInChI=1S/C15H13F2N3O3/c1-7-13-8(2)23-19-14(13)15(22)20(18-7)6-12(21)10-4-3-9(16)5-11(10)17/h3-5,12,21H,6H2,1-2H3
InChIKeyPIPFUBAJELPOIK-UHFFFAOYSA-N
MW321.28 g/mol
LogP2.01
Rot. Bonds3

About 6-[2-(2,4-difluorophenyl)-2-hydroxyethyl]-3,4-dimethyl-[1,2]oxazolo[3,4-d]pyridazin-7-one

6-[2-(2,4-difluorophenyl)-2-hydroxyethyl]-3,4-dimethyl-[1,2]oxazolo[3,4-d]pyridazin-7-one (PubChem CID 110921670) has the molecular formula C15H13F2N3O3 and a molecular weight of 321.28 g/mol. Its IUPAC name is 6-[2-(2,4-difluorophenyl)-2-hydroxyethyl]-3,4-dimethyl-[1,2]oxazolo[3,4-d]pyridazin-7-one.

Molecular Properties

Compound Name6-[2-(2,4-difluorophenyl)-2-hydroxyethyl]-3,4-dimethyl-[1,2]oxazolo[3,4-d]pyridazin-7-one
PubChem CID110921670
Molecular FormulaC15H13F2N3O3
Molecular Weight321.28 g/mol
Exact Mass321.09
IUPAC Name6-[2-(2,4-difluorophenyl)-2-hydroxyethyl]-3,4-dimethyl-[1,2]oxazolo[3,4-d]pyridazin-7-one
SMILESCc1nn(CC(O)c2ccc(F)cc2F)c(=O)c2noc(C)c12
InChIInChI=1S/C15H13F2N3O3/c1-7-13-8(2)23-19-14(13)15(22)20(18-7)6-12(21)10-4-3-9(16)5-11(10)17/h3-5,12,21H,6H2,1-2H3
InChIKeyPIPFUBAJELPOIK-UHFFFAOYSA-N
XLogP2.01
TPSA81.15 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.28
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 6-[2-(2,4-difluorophenyl)-2-hydroxyethyl]-3,4-dimethyl-[1,2]oxazolo[3,4-d]pyridazin-7-one with MolForge

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Related Compounds

6-[2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]-3,4-dimethyl-[1,2]oxazolo[3,4-d]pyridazin-7-one
CID 110921665
1-(2,4-difluorophenyl)-2-(1,2,4-triazol-4-yl)ethanol
CID 109400824
6-(4-fluorophenyl)-3,4-dimethyl-[1,2]oxazolo[3,4-d]pyridazin-7-one
CID 2744831
2-[(2R)-2-(2,4-difluorophenyl)-2-hydroxyethyl]-4-(2,5-dimethylphenyl)phthalazin-1-one
CID 94386417
N-(3-chloro-4-fluorophenyl)-2-(3,4-dimethyl-7-oxo-[1,2]oxazolo[3,4-d]pyridazin-6-yl)acetamide
CID 53056489
2-[(2R)-2-(2-fluorophenyl)-2-hydroxyethyl]-4-methylphthalazin-1-one
CID 51728787
3-[(2R)-2-(2,4-difluorophenyl)-2-hydroxyethyl]-5,6-dimethylthieno[2,3-d]pyrimidin-4-one
CID 94385950
3-[2-(2,4-difluorophenyl)-2-hydroxyethyl]-2-methylquinazolin-4-one
CID 47053259
2-[2-(2,4-difluorophenyl)-2-hydroxyethyl]-5-fluoroisoindole-1,3-dione
CID 111751775
1-(2,4-difluorophenyl)-2-[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]ethanol
CID 110903106
2-[2-(2,4-difluorophenyl)-2-hydroxyethyl]isoindole-1,3-dione
CID 110885169
2-(3,4-dimethyl-7-oxo-[1,2]oxazolo[3,4-d]pyridazin-6-yl)-N-[(2S)-4-phenylbutan-2-yl]acetamide
CID 95064731

Frequently Asked Questions

What is the IUPAC name of 6-[2-(2,4-difluorophenyl)-2-hydroxyethyl]-3,4-dimethyl-[1,2]oxazolo[3,4-d]pyridazin-7-one?
The IUPAC name of 6-[2-(2,4-difluorophenyl)-2-hydroxyethyl]-3,4-dimethyl-[1,2]oxazolo[3,4-d]pyridazin-7-one (CID 110921670) is 6-[2-(2,4-difluorophenyl)-2-hydroxyethyl]-3,4-dimethyl-[1,2]oxazolo[3,4-d]pyridazin-7-one.
What is the SMILES notation for 6-[2-(2,4-difluorophenyl)-2-hydroxyethyl]-3,4-dimethyl-[1,2]oxazolo[3,4-d]pyridazin-7-one?
The canonical SMILES for 6-[2-(2,4-difluorophenyl)-2-hydroxyethyl]-3,4-dimethyl-[1,2]oxazolo[3,4-d]pyridazin-7-one is Cc1nn(CC(O)c2ccc(F)cc2F)c(=O)c2noc(C)c12.
What is the InChIKey of 6-[2-(2,4-difluorophenyl)-2-hydroxyethyl]-3,4-dimethyl-[1,2]oxazolo[3,4-d]pyridazin-7-one?
The InChIKey is PIPFUBAJELPOIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13F2N3O3/c1-7-13-8(2)23-19-14(13)15(22)20(18-7)6-12(21)10-4-3-9(16)5-11(10)17/h3-5,12,21H,6H2,1-2H3.
What are the key properties of 6-[2-(2,4-difluorophenyl)-2-hydroxyethyl]-3,4-dimethyl-[1,2]oxazolo[3,4-d]pyridazin-7-one?
6-[2-(2,4-difluorophenyl)-2-hydroxyethyl]-3,4-dimethyl-[1,2]oxazolo[3,4-d]pyridazin-7-one has a molecular weight of 321.28 g/mol, XLogP of 2.01, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(2,4-difluorophenyl)-2-hydroxyethyl]-3,4-dimethyl-[1,2]oxazolo[3,4-d]pyridazin-7-one is sourced from PubChem (CID 110921670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).