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

C13H11N3O2 — CID 27537

IUPAC3,4-dimethyl-6-phenyl-[1,2]oxazolo[3,4-d]pyridazin-7-one
SMILESCc1nn(-c2ccccc2)c(=O)c2noc(C)c12
InChIInChI=1S/C13H11N3O2/c1-8-11-9(2)18-15-12(11)13(17)16(14-8)10-6-4-3-5-7-10/h3-7H,1-2H3
InChIKeyYNMXHASRQBEXMM-UHFFFAOYSA-N
MW241.25 g/mol
LogP1.99
Rot. Bonds1

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

3,4-dimethyl-6-phenyl-[1,2]oxazolo[3,4-d]pyridazin-7-one (PubChem CID 27537) has the molecular formula C13H11N3O2 and a molecular weight of 241.25 g/mol. Its IUPAC name is 3,4-dimethyl-6-phenyl-[1,2]oxazolo[3,4-d]pyridazin-7-one.

Molecular Properties

Compound Name3,4-dimethyl-6-phenyl-[1,2]oxazolo[3,4-d]pyridazin-7-one
PubChem CID27537
Molecular FormulaC13H11N3O2
Molecular Weight241.25 g/mol
Exact Mass241.09
IUPAC Name3,4-dimethyl-6-phenyl-[1,2]oxazolo[3,4-d]pyridazin-7-one
SMILESCc1nn(-c2ccccc2)c(=O)c2noc(C)c12
InChIInChI=1S/C13H11N3O2/c1-8-11-9(2)18-15-12(11)13(17)16(14-8)10-6-4-3-5-7-10/h3-7H,1-2H3
InChIKeyYNMXHASRQBEXMM-UHFFFAOYSA-N
XLogP1.99
TPSA60.92 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.25
LogP ≤ 51.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-Isoxazolecarboxamide, 5-methyl-N-(2-(trifluoromethyl)phenyl)-
CID 3073007
N-(4-ethylphenyl)-5-propyl-3-isoxazolecarboxamide
CID 17253304
Isoxazolo(3,4-d)pyridazin-7(6H)-one, 4,6-diphenyl-3-methyl-
CID 33028
3-Isoxazolecarboxamide, 5-methyl-N-(2-(phenylmethyl)phenyl)-
CID 1246614
3-Isoxazolecarboxamide, 5-methyl-N-(2,4,6-trimethylphenyl)-
CID 3076176
6-allyl-3-methyl-4-phenylisoxazolo[3,4-d]pyridazin-7(6H)-one
CID 1487437
3,4-Dimethyl-6-[3-(trifluoromethyl)phenyl]-6,7-dihydroisoxazolo[3,4-d]pyridazin-7-one
CID 2745188
3,7-Dimethyl-5-(4-methylphenyl)-[1,2]oxazolo[4,5-d]pyridazin-4-one
CID 2745397
5-methyl-N-(4-phenylphenyl)-1,2-oxazole-3-carboxamide
CID 8880740
5-methyl-N-(4-methylphenyl)-3-isoxazolecarboxamide
CID 3236095
N-(3-acetylphenyl)-5-propan-2-yl-3-isoxazolecarboxamide
CID 5308779
3-Isoxazolecarboxamide, 5-methyl-N-phenyl-
CID 2744550

Frequently Asked Questions

What is the IUPAC name of 3,4-dimethyl-6-phenyl-[1,2]oxazolo[3,4-d]pyridazin-7-one?
The IUPAC name of 3,4-dimethyl-6-phenyl-[1,2]oxazolo[3,4-d]pyridazin-7-one (CID 27537) is 3,4-dimethyl-6-phenyl-[1,2]oxazolo[3,4-d]pyridazin-7-one.
What is the SMILES notation for 3,4-dimethyl-6-phenyl-[1,2]oxazolo[3,4-d]pyridazin-7-one?
The canonical SMILES for 3,4-dimethyl-6-phenyl-[1,2]oxazolo[3,4-d]pyridazin-7-one is Cc1nn(-c2ccccc2)c(=O)c2noc(C)c12.
What is the InChIKey of 3,4-dimethyl-6-phenyl-[1,2]oxazolo[3,4-d]pyridazin-7-one?
The InChIKey is YNMXHASRQBEXMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N3O2/c1-8-11-9(2)18-15-12(11)13(17)16(14-8)10-6-4-3-5-7-10/h3-7H,1-2H3.
What are the key properties of 3,4-dimethyl-6-phenyl-[1,2]oxazolo[3,4-d]pyridazin-7-one?
3,4-dimethyl-6-phenyl-[1,2]oxazolo[3,4-d]pyridazin-7-one has a molecular weight of 241.25 g/mol, XLogP of 1.99, 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-phenyl-[1,2]oxazolo[3,4-d]pyridazin-7-one is sourced from PubChem (CID 27537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).