5-[3-[[3-(3,5-difluorophenyl)-6-oxopyridazin-1-yl]methyl]phenyl]-3H-1,3,4-oxadiazol-2-one

C19H12F2N4O3 — CID 24830281

IUPAC5-[3-[[3-(3,5-difluorophenyl)-6-oxopyridazin-1-yl]methyl]phenyl]-3H-1,3,4-oxadiazol-2-one
SMILESO=c1[nH]nc(-c2cccc(Cn3nc(-c4cc(F)cc(F)c4)ccc3=O)c2)o1
InChIInChI=1S/C19H12F2N4O3/c20-14-7-13(8-15(21)9-14)16-4-5-17(26)25(24-16)10-11-2-1-3-12(6-11)18-22-23-19(27)28-18/h1-9H,10H2,(H,23,27)
InChIKeyMKXGMFIBJDQHER-UHFFFAOYSA-N
MW382.33 g/mol
LogP2.58
Rot. Bonds4

About 5-[3-[[3-(3,5-difluorophenyl)-6-oxopyridazin-1-yl]methyl]phenyl]-3H-1,3,4-oxadiazol-2-one

5-[3-[[3-(3,5-difluorophenyl)-6-oxopyridazin-1-yl]methyl]phenyl]-3H-1,3,4-oxadiazol-2-one (PubChem CID 24830281) has the molecular formula C19H12F2N4O3 and a molecular weight of 382.33 g/mol. Its IUPAC name is 5-[3-[[3-(3,5-difluorophenyl)-6-oxopyridazin-1-yl]methyl]phenyl]-3H-1,3,4-oxadiazol-2-one.

Molecular Properties

Compound Name5-[3-[[3-(3,5-difluorophenyl)-6-oxopyridazin-1-yl]methyl]phenyl]-3H-1,3,4-oxadiazol-2-one
PubChem CID24830281
Molecular FormulaC19H12F2N4O3
Molecular Weight382.33 g/mol
Exact Mass382.09
IUPAC Name5-[3-[[3-(3,5-difluorophenyl)-6-oxopyridazin-1-yl]methyl]phenyl]-3H-1,3,4-oxadiazol-2-one
SMILESO=c1[nH]nc(-c2cccc(Cn3nc(-c4cc(F)cc(F)c4)ccc3=O)c2)o1
InChIInChI=1S/C19H12F2N4O3/c20-14-7-13(8-15(21)9-14)16-4-5-17(26)25(24-16)10-11-2-1-3-12(6-11)18-22-23-19(27)28-18/h1-9H,10H2,(H,23,27)
InChIKeyMKXGMFIBJDQHER-UHFFFAOYSA-N
XLogP2.58
TPSA93.78 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.33
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[3-[[3-(3,5-difluorophenyl)-6-oxopyridazin-1-yl]methyl]phenyl]-3H-1,3,4-oxadiazol-2-one?
The IUPAC name of 5-[3-[[3-(3,5-difluorophenyl)-6-oxopyridazin-1-yl]methyl]phenyl]-3H-1,3,4-oxadiazol-2-one (CID 24830281) is 5-[3-[[3-(3,5-difluorophenyl)-6-oxopyridazin-1-yl]methyl]phenyl]-3H-1,3,4-oxadiazol-2-one.
What is the SMILES notation for 5-[3-[[3-(3,5-difluorophenyl)-6-oxopyridazin-1-yl]methyl]phenyl]-3H-1,3,4-oxadiazol-2-one?
The canonical SMILES for 5-[3-[[3-(3,5-difluorophenyl)-6-oxopyridazin-1-yl]methyl]phenyl]-3H-1,3,4-oxadiazol-2-one is O=c1[nH]nc(-c2cccc(Cn3nc(-c4cc(F)cc(F)c4)ccc3=O)c2)o1.
What is the InChIKey of 5-[3-[[3-(3,5-difluorophenyl)-6-oxopyridazin-1-yl]methyl]phenyl]-3H-1,3,4-oxadiazol-2-one?
The InChIKey is MKXGMFIBJDQHER-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12F2N4O3/c20-14-7-13(8-15(21)9-14)16-4-5-17(26)25(24-16)10-11-2-1-3-12(6-11)18-22-23-19(27)28-18/h1-9H,10H2,(H,23,27).
What are the key properties of 5-[3-[[3-(3,5-difluorophenyl)-6-oxopyridazin-1-yl]methyl]phenyl]-3H-1,3,4-oxadiazol-2-one?
5-[3-[[3-(3,5-difluorophenyl)-6-oxopyridazin-1-yl]methyl]phenyl]-3H-1,3,4-oxadiazol-2-one has a molecular weight of 382.33 g/mol, XLogP of 2.58, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-[[3-(3,5-difluorophenyl)-6-oxopyridazin-1-yl]methyl]phenyl]-3H-1,3,4-oxadiazol-2-one is sourced from PubChem (CID 24830281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).