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

C14H13N3O2 — CID 2745397

IUPAC3,7-dimethyl-5-(4-methylphenyl)-[1,2]oxazolo[4,5-d]pyridazin-4-one
SMILESCc1ccc(-n2nc(C)c3onc(C)c3c2=O)cc1
InChIInChI=1S/C14H13N3O2/c1-8-4-6-11(7-5-8)17-14(18)12-9(2)16-19-13(12)10(3)15-17/h4-7H,1-3H3
InChIKeyOMBZXPSYFJNBAA-UHFFFAOYSA-N
MW255.28 g/mol
LogP2.30
Rot. Bonds1

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

3,7-dimethyl-5-(4-methylphenyl)-[1,2]oxazolo[4,5-d]pyridazin-4-one (PubChem CID 2745397) has the molecular formula C14H13N3O2 and a molecular weight of 255.28 g/mol. Its IUPAC name is 3,7-dimethyl-5-(4-methylphenyl)-[1,2]oxazolo[4,5-d]pyridazin-4-one.

Molecular Properties

Compound Name3,7-dimethyl-5-(4-methylphenyl)-[1,2]oxazolo[4,5-d]pyridazin-4-one
PubChem CID2745397
Molecular FormulaC14H13N3O2
Molecular Weight255.28 g/mol
Exact Mass255.10
IUPAC Name3,7-dimethyl-5-(4-methylphenyl)-[1,2]oxazolo[4,5-d]pyridazin-4-one
SMILESCc1ccc(-n2nc(C)c3onc(C)c3c2=O)cc1
InChIInChI=1S/C14H13N3O2/c1-8-4-6-11(7-5-8)17-14(18)12-9(2)16-19-13(12)10(3)15-17/h4-7H,1-3H3
InChIKeyOMBZXPSYFJNBAA-UHFFFAOYSA-N
XLogP2.30
TPSA60.92 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.28
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3,7-dimethyl-5-(4-methylphenyl)-[1,2]oxazolo[4,5-d]pyridazin-4-one?
The IUPAC name of 3,7-dimethyl-5-(4-methylphenyl)-[1,2]oxazolo[4,5-d]pyridazin-4-one (CID 2745397) is 3,7-dimethyl-5-(4-methylphenyl)-[1,2]oxazolo[4,5-d]pyridazin-4-one.
What is the SMILES notation for 3,7-dimethyl-5-(4-methylphenyl)-[1,2]oxazolo[4,5-d]pyridazin-4-one?
The canonical SMILES for 3,7-dimethyl-5-(4-methylphenyl)-[1,2]oxazolo[4,5-d]pyridazin-4-one is Cc1ccc(-n2nc(C)c3onc(C)c3c2=O)cc1.
What is the InChIKey of 3,7-dimethyl-5-(4-methylphenyl)-[1,2]oxazolo[4,5-d]pyridazin-4-one?
The InChIKey is OMBZXPSYFJNBAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3O2/c1-8-4-6-11(7-5-8)17-14(18)12-9(2)16-19-13(12)10(3)15-17/h4-7H,1-3H3.
What are the key properties of 3,7-dimethyl-5-(4-methylphenyl)-[1,2]oxazolo[4,5-d]pyridazin-4-one?
3,7-dimethyl-5-(4-methylphenyl)-[1,2]oxazolo[4,5-d]pyridazin-4-one has a molecular weight of 255.28 g/mol, XLogP of 2.30, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,7-dimethyl-5-(4-methylphenyl)-[1,2]oxazolo[4,5-d]pyridazin-4-one is sourced from PubChem (CID 2745397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).