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

C14H13N3O3 — CID 2745394

IUPAC5-(4-methoxyphenyl)-3,7-dimethyl-[1,2]oxazolo[4,5-d]pyridazin-4-one
SMILESCOc1ccc(-n2nc(C)c3onc(C)c3c2=O)cc1
InChIInChI=1S/C14H13N3O3/c1-8-12-13(20-16-8)9(2)15-17(14(12)18)10-4-6-11(19-3)7-5-10/h4-7H,1-3H3
InChIKeyWWXJCLBAMKNCEH-UHFFFAOYSA-N
MW271.28 g/mol
LogP2.00
Rot. Bonds2

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

5-(4-methoxyphenyl)-3,7-dimethyl-[1,2]oxazolo[4,5-d]pyridazin-4-one (PubChem CID 2745394) has the molecular formula C14H13N3O3 and a molecular weight of 271.28 g/mol. Its IUPAC name is 5-(4-methoxyphenyl)-3,7-dimethyl-[1,2]oxazolo[4,5-d]pyridazin-4-one.

Molecular Properties

Compound Name5-(4-methoxyphenyl)-3,7-dimethyl-[1,2]oxazolo[4,5-d]pyridazin-4-one
PubChem CID2745394
Molecular FormulaC14H13N3O3
Molecular Weight271.28 g/mol
Exact Mass271.10
IUPAC Name5-(4-methoxyphenyl)-3,7-dimethyl-[1,2]oxazolo[4,5-d]pyridazin-4-one
SMILESCOc1ccc(-n2nc(C)c3onc(C)c3c2=O)cc1
InChIInChI=1S/C14H13N3O3/c1-8-12-13(20-16-8)9(2)15-17(14(12)18)10-4-6-11(19-3)7-5-10/h4-7H,1-3H3
InChIKeyWWXJCLBAMKNCEH-UHFFFAOYSA-N
XLogP2.00
TPSA70.15 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.28
LogP ≤ 52.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-(4-methoxyphenyl)-3,7-dimethyl-[1,2]oxazolo[4,5-d]pyridazin-4-one?
The IUPAC name of 5-(4-methoxyphenyl)-3,7-dimethyl-[1,2]oxazolo[4,5-d]pyridazin-4-one (CID 2745394) is 5-(4-methoxyphenyl)-3,7-dimethyl-[1,2]oxazolo[4,5-d]pyridazin-4-one.
What is the SMILES notation for 5-(4-methoxyphenyl)-3,7-dimethyl-[1,2]oxazolo[4,5-d]pyridazin-4-one?
The canonical SMILES for 5-(4-methoxyphenyl)-3,7-dimethyl-[1,2]oxazolo[4,5-d]pyridazin-4-one is COc1ccc(-n2nc(C)c3onc(C)c3c2=O)cc1.
What is the InChIKey of 5-(4-methoxyphenyl)-3,7-dimethyl-[1,2]oxazolo[4,5-d]pyridazin-4-one?
The InChIKey is WWXJCLBAMKNCEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3O3/c1-8-12-13(20-16-8)9(2)15-17(14(12)18)10-4-6-11(19-3)7-5-10/h4-7H,1-3H3.
What are the key properties of 5-(4-methoxyphenyl)-3,7-dimethyl-[1,2]oxazolo[4,5-d]pyridazin-4-one?
5-(4-methoxyphenyl)-3,7-dimethyl-[1,2]oxazolo[4,5-d]pyridazin-4-one has a molecular weight of 271.28 g/mol, XLogP of 2.00, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-methoxyphenyl)-3,7-dimethyl-[1,2]oxazolo[4,5-d]pyridazin-4-one is sourced from PubChem (CID 2745394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).