5-ethyl-2-[(5-methyl-1,3-oxazol-2-yl)methyl]pyridazin-3-one

C11H13N3O2 — CID 167941288

IUPAC5-ethyl-2-[(5-methyl-1,3-oxazol-2-yl)methyl]pyridazin-3-one
SMILESCCc1cnn(Cc2ncc(C)o2)c(=O)c1
InChIInChI=1S/C11H13N3O2/c1-3-9-4-11(15)14(13-6-9)7-10-12-5-8(2)16-10/h4-6H,3,7H2,1-2H3
InChIKeyXPALMGUGOJYVGD-UHFFFAOYSA-N
MW219.24 g/mol
LogP1.15
Rot. Bonds3

About 5-ethyl-2-[(5-methyl-1,3-oxazol-2-yl)methyl]pyridazin-3-one

5-ethyl-2-[(5-methyl-1,3-oxazol-2-yl)methyl]pyridazin-3-one (PubChem CID 167941288) has the molecular formula C11H13N3O2 and a molecular weight of 219.24 g/mol. Its IUPAC name is 5-ethyl-2-[(5-methyl-1,3-oxazol-2-yl)methyl]pyridazin-3-one.

Molecular Properties

Compound Name5-ethyl-2-[(5-methyl-1,3-oxazol-2-yl)methyl]pyridazin-3-one
PubChem CID167941288
Molecular FormulaC11H13N3O2
Molecular Weight219.24 g/mol
Exact Mass219.10
IUPAC Name5-ethyl-2-[(5-methyl-1,3-oxazol-2-yl)methyl]pyridazin-3-one
SMILESCCc1cnn(Cc2ncc(C)o2)c(=O)c1
InChIInChI=1S/C11H13N3O2/c1-3-9-4-11(15)14(13-6-9)7-10-12-5-8(2)16-10/h4-6H,3,7H2,1-2H3
InChIKeyXPALMGUGOJYVGD-UHFFFAOYSA-N
XLogP1.15
TPSA60.92 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.24
LogP ≤ 51.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-2-[(5-methyl-1,3-oxazol-2-yl)methyl]pyridazin-3-one?
The IUPAC name of 5-ethyl-2-[(5-methyl-1,3-oxazol-2-yl)methyl]pyridazin-3-one (CID 167941288) is 5-ethyl-2-[(5-methyl-1,3-oxazol-2-yl)methyl]pyridazin-3-one.
What is the SMILES notation for 5-ethyl-2-[(5-methyl-1,3-oxazol-2-yl)methyl]pyridazin-3-one?
The canonical SMILES for 5-ethyl-2-[(5-methyl-1,3-oxazol-2-yl)methyl]pyridazin-3-one is CCc1cnn(Cc2ncc(C)o2)c(=O)c1.
What is the InChIKey of 5-ethyl-2-[(5-methyl-1,3-oxazol-2-yl)methyl]pyridazin-3-one?
The InChIKey is XPALMGUGOJYVGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O2/c1-3-9-4-11(15)14(13-6-9)7-10-12-5-8(2)16-10/h4-6H,3,7H2,1-2H3.
What are the key properties of 5-ethyl-2-[(5-methyl-1,3-oxazol-2-yl)methyl]pyridazin-3-one?
5-ethyl-2-[(5-methyl-1,3-oxazol-2-yl)methyl]pyridazin-3-one has a molecular weight of 219.24 g/mol, XLogP of 1.15, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-2-[(5-methyl-1,3-oxazol-2-yl)methyl]pyridazin-3-one is sourced from PubChem (CID 167941288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).