2-[6-(methylamino)pyridazin-3-yl]-5-(3-methyl-1,2-oxazol-5-yl)phenol

C15H14N4O2 — CID 155041202

IUPAC2-[6-(methylamino)pyridazin-3-yl]-5-(3-methyl-1,2-oxazol-5-yl)phenol
SMILESCNc1ccc(-c2ccc(-c3cc(C)no3)cc2O)nn1
InChIInChI=1S/C15H14N4O2/c1-9-7-14(21-19-9)10-3-4-11(13(20)8-10)12-5-6-15(16-2)18-17-12/h3-8,20H,1-2H3,(H,16,18)
InChIKeyYJQMXKVMOKBJSE-UHFFFAOYSA-N
MW282.30 g/mol
LogP2.85
Rot. Bonds3

About 2-[6-(methylamino)pyridazin-3-yl]-5-(3-methyl-1,2-oxazol-5-yl)phenol

2-[6-(methylamino)pyridazin-3-yl]-5-(3-methyl-1,2-oxazol-5-yl)phenol (PubChem CID 155041202) has the molecular formula C15H14N4O2 and a molecular weight of 282.30 g/mol. Its IUPAC name is 2-[6-(methylamino)pyridazin-3-yl]-5-(3-methyl-1,2-oxazol-5-yl)phenol.

Molecular Properties

Compound Name2-[6-(methylamino)pyridazin-3-yl]-5-(3-methyl-1,2-oxazol-5-yl)phenol
PubChem CID155041202
Molecular FormulaC15H14N4O2
Molecular Weight282.30 g/mol
Exact Mass282.11
IUPAC Name2-[6-(methylamino)pyridazin-3-yl]-5-(3-methyl-1,2-oxazol-5-yl)phenol
SMILESCNc1ccc(-c2ccc(-c3cc(C)no3)cc2O)nn1
InChIInChI=1S/C15H14N4O2/c1-9-7-14(21-19-9)10-3-4-11(13(20)8-10)12-5-6-15(16-2)18-17-12/h3-8,20H,1-2H3,(H,16,18)
InChIKeyYJQMXKVMOKBJSE-UHFFFAOYSA-N
XLogP2.85
TPSA84.07 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.30
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[6-(methylamino)pyridazin-3-yl]-5-(3-methyl-1,2-oxazol-5-yl)phenol?
The IUPAC name of 2-[6-(methylamino)pyridazin-3-yl]-5-(3-methyl-1,2-oxazol-5-yl)phenol (CID 155041202) is 2-[6-(methylamino)pyridazin-3-yl]-5-(3-methyl-1,2-oxazol-5-yl)phenol.
What is the SMILES notation for 2-[6-(methylamino)pyridazin-3-yl]-5-(3-methyl-1,2-oxazol-5-yl)phenol?
The canonical SMILES for 2-[6-(methylamino)pyridazin-3-yl]-5-(3-methyl-1,2-oxazol-5-yl)phenol is CNc1ccc(-c2ccc(-c3cc(C)no3)cc2O)nn1.
What is the InChIKey of 2-[6-(methylamino)pyridazin-3-yl]-5-(3-methyl-1,2-oxazol-5-yl)phenol?
The InChIKey is YJQMXKVMOKBJSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N4O2/c1-9-7-14(21-19-9)10-3-4-11(13(20)8-10)12-5-6-15(16-2)18-17-12/h3-8,20H,1-2H3,(H,16,18).
What are the key properties of 2-[6-(methylamino)pyridazin-3-yl]-5-(3-methyl-1,2-oxazol-5-yl)phenol?
2-[6-(methylamino)pyridazin-3-yl]-5-(3-methyl-1,2-oxazol-5-yl)phenol has a molecular weight of 282.30 g/mol, XLogP of 2.85, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(methylamino)pyridazin-3-yl]-5-(3-methyl-1,2-oxazol-5-yl)phenol is sourced from PubChem (CID 155041202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).