3-(5-methyl-1,3-oxazol-2-yl)-1H-pyridazin-6-one

C8H7N3O2 — CID 59484955

IUPAC3-(5-methyl-1,3-oxazol-2-yl)-1H-pyridazin-6-one
SMILESCc1cnc(-c2ccc(=O)[nH]n2)o1
InChIInChI=1S/C8H7N3O2/c1-5-4-9-8(13-5)6-2-3-7(12)11-10-6/h2-4H,1H3,(H,11,12)
InChIKeyXBJBSQLRLTZSGA-UHFFFAOYSA-N
MW177.16 g/mol
LogP0.73
Rot. Bonds1

About 3-(5-methyl-1,3-oxazol-2-yl)-1H-pyridazin-6-one

3-(5-methyl-1,3-oxazol-2-yl)-1H-pyridazin-6-one (PubChem CID 59484955) has the molecular formula C8H7N3O2 and a molecular weight of 177.16 g/mol. Its IUPAC name is 3-(5-methyl-1,3-oxazol-2-yl)-1H-pyridazin-6-one.

Molecular Properties

Compound Name3-(5-methyl-1,3-oxazol-2-yl)-1H-pyridazin-6-one
PubChem CID59484955
Molecular FormulaC8H7N3O2
Molecular Weight177.16 g/mol
Exact Mass177.05
IUPAC Name3-(5-methyl-1,3-oxazol-2-yl)-1H-pyridazin-6-one
SMILESCc1cnc(-c2ccc(=O)[nH]n2)o1
InChIInChI=1S/C8H7N3O2/c1-5-4-9-8(13-5)6-2-3-7(12)11-10-6/h2-4H,1H3,(H,11,12)
InChIKeyXBJBSQLRLTZSGA-UHFFFAOYSA-N
XLogP0.73
TPSA71.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.16
LogP ≤ 50.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-Methyl-6-(1,3-oxazol-5-yl)pyridazin-3-one
CID 154662315
6-(2-Chloro-1,3-oxazol-5-yl)-2-methylpyridazin-3-one
CID 154662483
N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-6-oxo-1H-pyridazine-3-carboxamide
CID 103949142
N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-6-oxo-1H-pyridazine-3-carboxamide
CID 104890840
N-[(5-methyl-1,3-oxazol-2-yl)methyl]-6-oxo-1H-pyridazine-3-carboxamide
CID 110660295
N-[2-(5-methyl-1,3-oxazol-2-yl)ethyl]-6-oxo-1H-pyridazine-3-carboxamide
CID 110660512
6-Methyl-2-(2-{4-[(5-methyl-1,3-oxazol-2-yl)methyl]piperazin-1-yl}ethyl)-2,3-dihydropyridazin-3-one
CID 126913763
6-Methyl-2-({1-[(5-methyl-1,3-oxazol-2-yl)methyl]azetidin-3-yl}methyl)-2,3-dihydropyridazin-3-one
CID 126927096
5-Ethyl-2-[(5-methyl-1,3-oxazol-2-yl)methyl]pyridazin-3-one
CID 167941288
6-(Oxazol-5-yl)pyridazin-3(2H)-one
CID 177814859
6-(Oxazol-2-yl)pyridazin-3(2H)-one
CID 177816009

Frequently Asked Questions

What is the IUPAC name of 3-(5-methyl-1,3-oxazol-2-yl)-1H-pyridazin-6-one?
The IUPAC name of 3-(5-methyl-1,3-oxazol-2-yl)-1H-pyridazin-6-one (CID 59484955) is 3-(5-methyl-1,3-oxazol-2-yl)-1H-pyridazin-6-one.
What is the SMILES notation for 3-(5-methyl-1,3-oxazol-2-yl)-1H-pyridazin-6-one?
The canonical SMILES for 3-(5-methyl-1,3-oxazol-2-yl)-1H-pyridazin-6-one is Cc1cnc(-c2ccc(=O)[nH]n2)o1.
What is the InChIKey of 3-(5-methyl-1,3-oxazol-2-yl)-1H-pyridazin-6-one?
The InChIKey is XBJBSQLRLTZSGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7N3O2/c1-5-4-9-8(13-5)6-2-3-7(12)11-10-6/h2-4H,1H3,(H,11,12).
What are the key properties of 3-(5-methyl-1,3-oxazol-2-yl)-1H-pyridazin-6-one?
3-(5-methyl-1,3-oxazol-2-yl)-1H-pyridazin-6-one has a molecular weight of 177.16 g/mol, XLogP of 0.73, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-methyl-1,3-oxazol-2-yl)-1H-pyridazin-6-one is sourced from PubChem (CID 59484955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).