6-[2-[4-[(3,5-difluorophenyl)methyl]piperidin-1-yl]-1,3-oxazol-5-yl]-2-methylpyridazin-3-one

C20H20F2N4O2 — CID 154662316

IUPAC6-[2-[4-[(3,5-difluorophenyl)methyl]piperidin-1-yl]-1,3-oxazol-5-yl]-2-methylpyridazin-3-one
SMILESCn1nc(-c2cnc(N3CCC(Cc4cc(F)cc(F)c4)CC3)o2)ccc1=O
InChIInChI=1S/C20H20F2N4O2/c1-25-19(27)3-2-17(24-25)18-12-23-20(28-18)26-6-4-13(5-7-26)8-14-9-15(21)11-16(22)10-14/h2-3,9-13H,4-8H2,1H3
InChIKeyVEAJJBFSQXIFDG-UHFFFAOYSA-N
MW386.40 g/mol
LogP3.17
Rot. Bonds4

About 6-[2-[4-[(3,5-difluorophenyl)methyl]piperidin-1-yl]-1,3-oxazol-5-yl]-2-methylpyridazin-3-one

6-[2-[4-[(3,5-difluorophenyl)methyl]piperidin-1-yl]-1,3-oxazol-5-yl]-2-methylpyridazin-3-one (PubChem CID 154662316) has the molecular formula C20H20F2N4O2 and a molecular weight of 386.40 g/mol. Its IUPAC name is 6-[2-[4-[(3,5-difluorophenyl)methyl]piperidin-1-yl]-1,3-oxazol-5-yl]-2-methylpyridazin-3-one.

Molecular Properties

Compound Name6-[2-[4-[(3,5-difluorophenyl)methyl]piperidin-1-yl]-1,3-oxazol-5-yl]-2-methylpyridazin-3-one
PubChem CID154662316
Molecular FormulaC20H20F2N4O2
Molecular Weight386.40 g/mol
Exact Mass386.16
IUPAC Name6-[2-[4-[(3,5-difluorophenyl)methyl]piperidin-1-yl]-1,3-oxazol-5-yl]-2-methylpyridazin-3-one
SMILESCn1nc(-c2cnc(N3CCC(Cc4cc(F)cc(F)c4)CC3)o2)ccc1=O
InChIInChI=1S/C20H20F2N4O2/c1-25-19(27)3-2-17(24-25)18-12-23-20(28-18)26-6-4-13(5-7-26)8-14-9-15(21)11-16(22)10-14/h2-3,9-13H,4-8H2,1H3
InChIKeyVEAJJBFSQXIFDG-UHFFFAOYSA-N
XLogP3.17
TPSA64.16 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.40
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-[2-[4-[(3,5-difluorophenyl)methyl]piperidin-1-yl]-1,3-oxazol-5-yl]-2-methylpyridazin-3-one?
The IUPAC name of 6-[2-[4-[(3,5-difluorophenyl)methyl]piperidin-1-yl]-1,3-oxazol-5-yl]-2-methylpyridazin-3-one (CID 154662316) is 6-[2-[4-[(3,5-difluorophenyl)methyl]piperidin-1-yl]-1,3-oxazol-5-yl]-2-methylpyridazin-3-one.
What is the SMILES notation for 6-[2-[4-[(3,5-difluorophenyl)methyl]piperidin-1-yl]-1,3-oxazol-5-yl]-2-methylpyridazin-3-one?
The canonical SMILES for 6-[2-[4-[(3,5-difluorophenyl)methyl]piperidin-1-yl]-1,3-oxazol-5-yl]-2-methylpyridazin-3-one is Cn1nc(-c2cnc(N3CCC(Cc4cc(F)cc(F)c4)CC3)o2)ccc1=O.
What is the InChIKey of 6-[2-[4-[(3,5-difluorophenyl)methyl]piperidin-1-yl]-1,3-oxazol-5-yl]-2-methylpyridazin-3-one?
The InChIKey is VEAJJBFSQXIFDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20F2N4O2/c1-25-19(27)3-2-17(24-25)18-12-23-20(28-18)26-6-4-13(5-7-26)8-14-9-15(21)11-16(22)10-14/h2-3,9-13H,4-8H2,1H3.
What are the key properties of 6-[2-[4-[(3,5-difluorophenyl)methyl]piperidin-1-yl]-1,3-oxazol-5-yl]-2-methylpyridazin-3-one?
6-[2-[4-[(3,5-difluorophenyl)methyl]piperidin-1-yl]-1,3-oxazol-5-yl]-2-methylpyridazin-3-one has a molecular weight of 386.40 g/mol, XLogP of 3.17, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-[4-[(3,5-difluorophenyl)methyl]piperidin-1-yl]-1,3-oxazol-5-yl]-2-methylpyridazin-3-one is sourced from PubChem (CID 154662316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).