6-(3,5-difluorophenyl)-2-[[3-(5-methyl-1,3-oxazol-2-yl)phenyl]methyl]pyridazin-3-one

C21H15F2N3O2 — CID 24830124

IUPAC6-(3,5-difluorophenyl)-2-[[3-(5-methyl-1,3-oxazol-2-yl)phenyl]methyl]pyridazin-3-one
SMILESCc1cnc(-c2cccc(Cn3nc(-c4cc(F)cc(F)c4)ccc3=O)c2)o1
InChIInChI=1S/C21H15F2N3O2/c1-13-11-24-21(28-13)15-4-2-3-14(7-15)12-26-20(27)6-5-19(25-26)16-8-17(22)10-18(23)9-16/h2-11H,12H2,1H3
InChIKeyHNZNLHMWBMCDNP-UHFFFAOYSA-N
MW379.37 g/mol
LogP4.20
Rot. Bonds4

About 6-(3,5-difluorophenyl)-2-[[3-(5-methyl-1,3-oxazol-2-yl)phenyl]methyl]pyridazin-3-one

6-(3,5-difluorophenyl)-2-[[3-(5-methyl-1,3-oxazol-2-yl)phenyl]methyl]pyridazin-3-one (PubChem CID 24830124) has the molecular formula C21H15F2N3O2 and a molecular weight of 379.37 g/mol. Its IUPAC name is 6-(3,5-difluorophenyl)-2-[[3-(5-methyl-1,3-oxazol-2-yl)phenyl]methyl]pyridazin-3-one.

Molecular Properties

Compound Name6-(3,5-difluorophenyl)-2-[[3-(5-methyl-1,3-oxazol-2-yl)phenyl]methyl]pyridazin-3-one
PubChem CID24830124
Molecular FormulaC21H15F2N3O2
Molecular Weight379.37 g/mol
Exact Mass379.11
IUPAC Name6-(3,5-difluorophenyl)-2-[[3-(5-methyl-1,3-oxazol-2-yl)phenyl]methyl]pyridazin-3-one
SMILESCc1cnc(-c2cccc(Cn3nc(-c4cc(F)cc(F)c4)ccc3=O)c2)o1
InChIInChI=1S/C21H15F2N3O2/c1-13-11-24-21(28-13)15-4-2-3-14(7-15)12-26-20(27)6-5-19(25-26)16-8-17(22)10-18(23)9-16/h2-11H,12H2,1H3
InChIKeyHNZNLHMWBMCDNP-UHFFFAOYSA-N
XLogP4.20
TPSA60.92 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.37
LogP ≤ 54.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-(3,5-difluorophenyl)-2-[[3-(5-methyl-1,3-oxazol-2-yl)phenyl]methyl]pyridazin-3-one?
The IUPAC name of 6-(3,5-difluorophenyl)-2-[[3-(5-methyl-1,3-oxazol-2-yl)phenyl]methyl]pyridazin-3-one (CID 24830124) is 6-(3,5-difluorophenyl)-2-[[3-(5-methyl-1,3-oxazol-2-yl)phenyl]methyl]pyridazin-3-one.
What is the SMILES notation for 6-(3,5-difluorophenyl)-2-[[3-(5-methyl-1,3-oxazol-2-yl)phenyl]methyl]pyridazin-3-one?
The canonical SMILES for 6-(3,5-difluorophenyl)-2-[[3-(5-methyl-1,3-oxazol-2-yl)phenyl]methyl]pyridazin-3-one is Cc1cnc(-c2cccc(Cn3nc(-c4cc(F)cc(F)c4)ccc3=O)c2)o1.
What is the InChIKey of 6-(3,5-difluorophenyl)-2-[[3-(5-methyl-1,3-oxazol-2-yl)phenyl]methyl]pyridazin-3-one?
The InChIKey is HNZNLHMWBMCDNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15F2N3O2/c1-13-11-24-21(28-13)15-4-2-3-14(7-15)12-26-20(27)6-5-19(25-26)16-8-17(22)10-18(23)9-16/h2-11H,12H2,1H3.
What are the key properties of 6-(3,5-difluorophenyl)-2-[[3-(5-methyl-1,3-oxazol-2-yl)phenyl]methyl]pyridazin-3-one?
6-(3,5-difluorophenyl)-2-[[3-(5-methyl-1,3-oxazol-2-yl)phenyl]methyl]pyridazin-3-one has a molecular weight of 379.37 g/mol, XLogP of 4.20, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3,5-difluorophenyl)-2-[[3-(5-methyl-1,3-oxazol-2-yl)phenyl]methyl]pyridazin-3-one is sourced from PubChem (CID 24830124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).