3,4-dimethyl-6-[3-(trifluoromethyl)phenyl]-[1,2]oxazolo[3,4-d]pyridazin-7-one

C14H10F3N3O2 — CID 2745188

IUPAC3,4-dimethyl-6-[3-(trifluoromethyl)phenyl]-[1,2]oxazolo[3,4-d]pyridazin-7-one
SMILESCc1nn(-c2cccc(C(F)(F)F)c2)c(=O)c2noc(C)c12
InChIInChI=1S/C14H10F3N3O2/c1-7-11-8(2)22-19-12(11)13(21)20(18-7)10-5-3-4-9(6-10)14(15,16)17/h3-6H,1-2H3
InChIKeyCHEQNYIYXMVCTK-UHFFFAOYSA-N
MW309.25 g/mol
LogP3.01
Rot. Bonds1

About 3,4-dimethyl-6-[3-(trifluoromethyl)phenyl]-[1,2]oxazolo[3,4-d]pyridazin-7-one

3,4-dimethyl-6-[3-(trifluoromethyl)phenyl]-[1,2]oxazolo[3,4-d]pyridazin-7-one (PubChem CID 2745188) has the molecular formula C14H10F3N3O2 and a molecular weight of 309.25 g/mol. Its IUPAC name is 3,4-dimethyl-6-[3-(trifluoromethyl)phenyl]-[1,2]oxazolo[3,4-d]pyridazin-7-one.

Molecular Properties

Compound Name3,4-dimethyl-6-[3-(trifluoromethyl)phenyl]-[1,2]oxazolo[3,4-d]pyridazin-7-one
PubChem CID2745188
Molecular FormulaC14H10F3N3O2
Molecular Weight309.25 g/mol
Exact Mass309.07
IUPAC Name3,4-dimethyl-6-[3-(trifluoromethyl)phenyl]-[1,2]oxazolo[3,4-d]pyridazin-7-one
SMILESCc1nn(-c2cccc(C(F)(F)F)c2)c(=O)c2noc(C)c12
InChIInChI=1S/C14H10F3N3O2/c1-7-11-8(2)22-19-12(11)13(21)20(18-7)10-5-3-4-9(6-10)14(15,16)17/h3-6H,1-2H3
InChIKeyCHEQNYIYXMVCTK-UHFFFAOYSA-N
XLogP3.01
TPSA60.92 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.25
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 3,4-dimethyl-6-[3-(trifluoromethyl)phenyl]-[1,2]oxazolo[3,4-d]pyridazin-7-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-Isoxazolecarboxamide, 5-methyl-N-(2-(trifluoromethyl)phenyl)-
CID 3073007
Isoxazolo(3,4-d)pyridazin-7(6H)-one, 3,4-dimethyl-6-phenyl-
CID 27537
Isoxazolo(3,4-d)pyridazin-7(6H)-one, 4,6-diphenyl-3-methyl-
CID 33028
3,7-Dimethyl-5-(4-methylphenyl)-[1,2]oxazolo[4,5-d]pyridazin-4-one
CID 2745397
5-methyl-4-nitro-N-[3-(trifluoromethyl)phenyl]-1,2-oxazole-3-carboxamide
CID 20864724
5-methyl-N-(4-methylphenyl)-3-isoxazolecarboxamide
CID 3236095
N-(3-acetylphenyl)-5-propan-2-yl-3-isoxazolecarboxamide
CID 5308779
D-2624
CID 3076169
N-(4-ethylphenyl)-5-methyl-1,2-oxazole-3-carboxamide
CID 3238202
N-(4-methylphenyl)-5-propyl-1,2-oxazole-3-carboxamide
CID 5307380
N-(2,4-difluorophenyl)-5-(2-methylpropyl)-1,2-oxazole-3-carboxamide
CID 5308890
5-isopropyl-N-[3-(trifluoromethyl)phenyl]isoxazole-3-carboxamide
CID 9551032

Frequently Asked Questions

What is the IUPAC name of 3,4-dimethyl-6-[3-(trifluoromethyl)phenyl]-[1,2]oxazolo[3,4-d]pyridazin-7-one?
The IUPAC name of 3,4-dimethyl-6-[3-(trifluoromethyl)phenyl]-[1,2]oxazolo[3,4-d]pyridazin-7-one (CID 2745188) is 3,4-dimethyl-6-[3-(trifluoromethyl)phenyl]-[1,2]oxazolo[3,4-d]pyridazin-7-one.
What is the SMILES notation for 3,4-dimethyl-6-[3-(trifluoromethyl)phenyl]-[1,2]oxazolo[3,4-d]pyridazin-7-one?
The canonical SMILES for 3,4-dimethyl-6-[3-(trifluoromethyl)phenyl]-[1,2]oxazolo[3,4-d]pyridazin-7-one is Cc1nn(-c2cccc(C(F)(F)F)c2)c(=O)c2noc(C)c12.
What is the InChIKey of 3,4-dimethyl-6-[3-(trifluoromethyl)phenyl]-[1,2]oxazolo[3,4-d]pyridazin-7-one?
The InChIKey is CHEQNYIYXMVCTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10F3N3O2/c1-7-11-8(2)22-19-12(11)13(21)20(18-7)10-5-3-4-9(6-10)14(15,16)17/h3-6H,1-2H3.
What are the key properties of 3,4-dimethyl-6-[3-(trifluoromethyl)phenyl]-[1,2]oxazolo[3,4-d]pyridazin-7-one?
3,4-dimethyl-6-[3-(trifluoromethyl)phenyl]-[1,2]oxazolo[3,4-d]pyridazin-7-one has a molecular weight of 309.25 g/mol, XLogP of 3.01, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethyl-6-[3-(trifluoromethyl)phenyl]-[1,2]oxazolo[3,4-d]pyridazin-7-one is sourced from PubChem (CID 2745188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).