6-[4-(difluoromethoxy)phenyl]-2-[(5-methyl-1,3-oxazol-2-yl)methyl]pyridazin-3-one

C16H13F2N3O3 — CID 174164197

IUPAC6-[4-(difluoromethoxy)phenyl]-2-[(5-methyl-1,3-oxazol-2-yl)methyl]pyridazin-3-one
SMILESCc1cnc(Cn2nc(-c3ccc(OC(F)F)cc3)ccc2=O)o1
InChIInChI=1S/C16H13F2N3O3/c1-10-8-19-14(23-10)9-21-15(22)7-6-13(20-21)11-2-4-12(5-3-11)24-16(17)18/h2-8,16H,9H2,1H3
InChIKeyIXZBEPNBKBWJIL-UHFFFAOYSA-N
MW333.29 g/mol
LogP2.86
Rot. Bonds5

About 6-[4-(difluoromethoxy)phenyl]-2-[(5-methyl-1,3-oxazol-2-yl)methyl]pyridazin-3-one

6-[4-(difluoromethoxy)phenyl]-2-[(5-methyl-1,3-oxazol-2-yl)methyl]pyridazin-3-one (PubChem CID 174164197) has the molecular formula C16H13F2N3O3 and a molecular weight of 333.29 g/mol. Its IUPAC name is 6-[4-(difluoromethoxy)phenyl]-2-[(5-methyl-1,3-oxazol-2-yl)methyl]pyridazin-3-one.

Molecular Properties

Compound Name6-[4-(difluoromethoxy)phenyl]-2-[(5-methyl-1,3-oxazol-2-yl)methyl]pyridazin-3-one
PubChem CID174164197
Molecular FormulaC16H13F2N3O3
Molecular Weight333.29 g/mol
Exact Mass333.09
IUPAC Name6-[4-(difluoromethoxy)phenyl]-2-[(5-methyl-1,3-oxazol-2-yl)methyl]pyridazin-3-one
SMILESCc1cnc(Cn2nc(-c3ccc(OC(F)F)cc3)ccc2=O)o1
InChIInChI=1S/C16H13F2N3O3/c1-10-8-19-14(23-10)9-21-15(22)7-6-13(20-21)11-2-4-12(5-3-11)24-16(17)18/h2-8,16H,9H2,1H3
InChIKeyIXZBEPNBKBWJIL-UHFFFAOYSA-N
XLogP2.86
TPSA70.15 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.29
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-[4-(difluoromethoxy)phenyl]-2-[(5-methyl-1,3-oxazol-2-yl)methyl]pyridazin-3-one?
The IUPAC name of 6-[4-(difluoromethoxy)phenyl]-2-[(5-methyl-1,3-oxazol-2-yl)methyl]pyridazin-3-one (CID 174164197) is 6-[4-(difluoromethoxy)phenyl]-2-[(5-methyl-1,3-oxazol-2-yl)methyl]pyridazin-3-one.
What is the SMILES notation for 6-[4-(difluoromethoxy)phenyl]-2-[(5-methyl-1,3-oxazol-2-yl)methyl]pyridazin-3-one?
The canonical SMILES for 6-[4-(difluoromethoxy)phenyl]-2-[(5-methyl-1,3-oxazol-2-yl)methyl]pyridazin-3-one is Cc1cnc(Cn2nc(-c3ccc(OC(F)F)cc3)ccc2=O)o1.
What is the InChIKey of 6-[4-(difluoromethoxy)phenyl]-2-[(5-methyl-1,3-oxazol-2-yl)methyl]pyridazin-3-one?
The InChIKey is IXZBEPNBKBWJIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13F2N3O3/c1-10-8-19-14(23-10)9-21-15(22)7-6-13(20-21)11-2-4-12(5-3-11)24-16(17)18/h2-8,16H,9H2,1H3.
What are the key properties of 6-[4-(difluoromethoxy)phenyl]-2-[(5-methyl-1,3-oxazol-2-yl)methyl]pyridazin-3-one?
6-[4-(difluoromethoxy)phenyl]-2-[(5-methyl-1,3-oxazol-2-yl)methyl]pyridazin-3-one has a molecular weight of 333.29 g/mol, XLogP of 2.86, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(difluoromethoxy)phenyl]-2-[(5-methyl-1,3-oxazol-2-yl)methyl]pyridazin-3-one is sourced from PubChem (CID 174164197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).