3,7-dimethyl-5-[[3-(trifluoromethyl)phenyl]methyl]-[1,2]oxazolo[4,5-d]pyridazin-4-one

C15H12F3N3O2 — CID 126666093

IUPAC3,7-dimethyl-5-[[3-(trifluoromethyl)phenyl]methyl]-[1,2]oxazolo[4,5-d]pyridazin-4-one
SMILESCc1nn(Cc2cccc(C(F)(F)F)c2)c(=O)c2c(C)noc12
InChIInChI=1S/C15H12F3N3O2/c1-8-12-13(23-20-8)9(2)19-21(14(12)22)7-10-4-3-5-11(6-10)15(16,17)18/h3-6H,7H2,1-2H3
InChIKeyIAMVEUWFINGSEI-UHFFFAOYSA-N
MW323.27 g/mol
LogP3.07
Rot. Bonds2

About 3,7-dimethyl-5-[[3-(trifluoromethyl)phenyl]methyl]-[1,2]oxazolo[4,5-d]pyridazin-4-one

3,7-dimethyl-5-[[3-(trifluoromethyl)phenyl]methyl]-[1,2]oxazolo[4,5-d]pyridazin-4-one (PubChem CID 126666093) has the molecular formula C15H12F3N3O2 and a molecular weight of 323.27 g/mol. Its IUPAC name is 3,7-dimethyl-5-[[3-(trifluoromethyl)phenyl]methyl]-[1,2]oxazolo[4,5-d]pyridazin-4-one.

Molecular Properties

Compound Name3,7-dimethyl-5-[[3-(trifluoromethyl)phenyl]methyl]-[1,2]oxazolo[4,5-d]pyridazin-4-one
PubChem CID126666093
Molecular FormulaC15H12F3N3O2
Molecular Weight323.27 g/mol
Exact Mass323.09
IUPAC Name3,7-dimethyl-5-[[3-(trifluoromethyl)phenyl]methyl]-[1,2]oxazolo[4,5-d]pyridazin-4-one
SMILESCc1nn(Cc2cccc(C(F)(F)F)c2)c(=O)c2c(C)noc12
InChIInChI=1S/C15H12F3N3O2/c1-8-12-13(23-20-8)9(2)19-21(14(12)22)7-10-4-3-5-11(6-10)15(16,17)18/h3-6H,7H2,1-2H3
InChIKeyIAMVEUWFINGSEI-UHFFFAOYSA-N
XLogP3.07
TPSA60.92 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.27
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 3,7-dimethyl-5-[[3-(trifluoromethyl)phenyl]methyl]-[1,2]oxazolo[4,5-d]pyridazin-4-one with MolForge

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Related Compounds

3,7-dimethyl-5-[[4-(trifluoromethyl)phenyl]methyl]-[1,2]oxazolo[4,5-d]pyridazin-4-one
CID 126666046
5-[(4-fluorophenyl)methyl]-3,7-dimethyl-[1,2]oxazolo[4,5-d]pyridazin-4-one
CID 126666024
4-iodo-3,5-dimethyl-1-[[3-(trifluoromethyl)phenyl]methyl]pyrazole
CID 79785518
7-(5-amino-2-methylphenyl)-3-methyl-5-[[4-(trifluoromethyl)phenyl]methyl]-[1,2]oxazolo[4,5-d]pyridazin-4-one
CID 126665915
5-[[2-fluoro-5-(trifluoromethyl)phenyl]methyl]-7-(2-methoxyphenyl)-3-methyl-[1,2]oxazolo[4,5-d]pyridazin-4-one
CID 126666156
3,5-dimethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1-[[3-(trifluoromethyl)phenyl]methyl]pyrazole
CID 140792735
N-[3,5-dimethyl-1-[[3-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]-2-methylpyrazole-3-carboxamide
CID 19475694
6-[2-hydroxy-2-[3-(trifluoromethyl)phenyl]propyl]-3,4-dimethyl-[1,2]oxazolo[3,4-d]pyridazin-7-one
CID 102560996
6-(2-methylphenyl)-2-[[3-(trifluoromethyl)phenyl]methyl]pyridazin-3-one
CID 8699136
1-[[3-(trifluoromethyl)phenyl]methyl]-1,2,4-triazole
CID 23274336
1-[3,5-dimethyl-1-[[3-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]-3-methylthiourea
CID 19344472
N-[5-methyl-1-[[3-(trifluoromethyl)phenyl]methyl]pyrazol-3-yl]butanamide
CID 19392878

Frequently Asked Questions

What is the IUPAC name of 3,7-dimethyl-5-[[3-(trifluoromethyl)phenyl]methyl]-[1,2]oxazolo[4,5-d]pyridazin-4-one?
The IUPAC name of 3,7-dimethyl-5-[[3-(trifluoromethyl)phenyl]methyl]-[1,2]oxazolo[4,5-d]pyridazin-4-one (CID 126666093) is 3,7-dimethyl-5-[[3-(trifluoromethyl)phenyl]methyl]-[1,2]oxazolo[4,5-d]pyridazin-4-one.
What is the SMILES notation for 3,7-dimethyl-5-[[3-(trifluoromethyl)phenyl]methyl]-[1,2]oxazolo[4,5-d]pyridazin-4-one?
The canonical SMILES for 3,7-dimethyl-5-[[3-(trifluoromethyl)phenyl]methyl]-[1,2]oxazolo[4,5-d]pyridazin-4-one is Cc1nn(Cc2cccc(C(F)(F)F)c2)c(=O)c2c(C)noc12.
What is the InChIKey of 3,7-dimethyl-5-[[3-(trifluoromethyl)phenyl]methyl]-[1,2]oxazolo[4,5-d]pyridazin-4-one?
The InChIKey is IAMVEUWFINGSEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12F3N3O2/c1-8-12-13(23-20-8)9(2)19-21(14(12)22)7-10-4-3-5-11(6-10)15(16,17)18/h3-6H,7H2,1-2H3.
What are the key properties of 3,7-dimethyl-5-[[3-(trifluoromethyl)phenyl]methyl]-[1,2]oxazolo[4,5-d]pyridazin-4-one?
3,7-dimethyl-5-[[3-(trifluoromethyl)phenyl]methyl]-[1,2]oxazolo[4,5-d]pyridazin-4-one has a molecular weight of 323.27 g/mol, XLogP of 3.07, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,7-dimethyl-5-[[3-(trifluoromethyl)phenyl]methyl]-[1,2]oxazolo[4,5-d]pyridazin-4-one is sourced from PubChem (CID 126666093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).