7-(2,4-dimethoxyphenyl)-3-methyl-5H-[1,2]oxazolo[4,5-d]pyridazin-4-one

C14H13N3O4 — CID 126666037

IUPAC7-(2,4-dimethoxyphenyl)-3-methyl-5H-[1,2]oxazolo[4,5-d]pyridazin-4-one
SMILESCOc1ccc(-c2n[nH]c(=O)c3c(C)noc23)c(OC)c1
InChIInChI=1S/C14H13N3O4/c1-7-11-13(21-17-7)12(15-16-14(11)18)9-5-4-8(19-2)6-10(9)20-3/h4-6H,1-3H3,(H,16,18)
InChIKeyYVZZAVQHKPZEOK-UHFFFAOYSA-N
MW287.28 g/mol
LogP1.90
Rot. Bonds3

About 7-(2,4-dimethoxyphenyl)-3-methyl-5H-[1,2]oxazolo[4,5-d]pyridazin-4-one

7-(2,4-dimethoxyphenyl)-3-methyl-5H-[1,2]oxazolo[4,5-d]pyridazin-4-one (PubChem CID 126666037) has the molecular formula C14H13N3O4 and a molecular weight of 287.28 g/mol. Its IUPAC name is 7-(2,4-dimethoxyphenyl)-3-methyl-5H-[1,2]oxazolo[4,5-d]pyridazin-4-one.

Molecular Properties

Compound Name7-(2,4-dimethoxyphenyl)-3-methyl-5H-[1,2]oxazolo[4,5-d]pyridazin-4-one
PubChem CID126666037
Molecular FormulaC14H13N3O4
Molecular Weight287.28 g/mol
Exact Mass287.09
IUPAC Name7-(2,4-dimethoxyphenyl)-3-methyl-5H-[1,2]oxazolo[4,5-d]pyridazin-4-one
SMILESCOc1ccc(-c2n[nH]c(=O)c3c(C)noc23)c(OC)c1
InChIInChI=1S/C14H13N3O4/c1-7-11-13(21-17-7)12(15-16-14(11)18)9-5-4-8(19-2)6-10(9)20-3/h4-6H,1-3H3,(H,16,18)
InChIKeyYVZZAVQHKPZEOK-UHFFFAOYSA-N
XLogP1.90
TPSA90.24 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.28
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 7-(2,4-dimethoxyphenyl)-3-methyl-5H-[1,2]oxazolo[4,5-d]pyridazin-4-one?
The IUPAC name of 7-(2,4-dimethoxyphenyl)-3-methyl-5H-[1,2]oxazolo[4,5-d]pyridazin-4-one (CID 126666037) is 7-(2,4-dimethoxyphenyl)-3-methyl-5H-[1,2]oxazolo[4,5-d]pyridazin-4-one.
What is the SMILES notation for 7-(2,4-dimethoxyphenyl)-3-methyl-5H-[1,2]oxazolo[4,5-d]pyridazin-4-one?
The canonical SMILES for 7-(2,4-dimethoxyphenyl)-3-methyl-5H-[1,2]oxazolo[4,5-d]pyridazin-4-one is COc1ccc(-c2n[nH]c(=O)c3c(C)noc23)c(OC)c1.
What is the InChIKey of 7-(2,4-dimethoxyphenyl)-3-methyl-5H-[1,2]oxazolo[4,5-d]pyridazin-4-one?
The InChIKey is YVZZAVQHKPZEOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3O4/c1-7-11-13(21-17-7)12(15-16-14(11)18)9-5-4-8(19-2)6-10(9)20-3/h4-6H,1-3H3,(H,16,18).
What are the key properties of 7-(2,4-dimethoxyphenyl)-3-methyl-5H-[1,2]oxazolo[4,5-d]pyridazin-4-one?
7-(2,4-dimethoxyphenyl)-3-methyl-5H-[1,2]oxazolo[4,5-d]pyridazin-4-one has a molecular weight of 287.28 g/mol, XLogP of 1.90, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2,4-dimethoxyphenyl)-3-methyl-5H-[1,2]oxazolo[4,5-d]pyridazin-4-one is sourced from PubChem (CID 126666037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).