(3,6-dimethylpyridazin-4-yl)-(1,2-oxazolidin-2-yl)methanone

C10H13N3O2 — CID 104671096

IUPAC(3,6-dimethylpyridazin-4-yl)-(1,2-oxazolidin-2-yl)methanone
SMILESCc1cc(C(=O)N2CCCO2)c(C)nn1
InChIInChI=1S/C10H13N3O2/c1-7-6-9(8(2)12-11-7)10(14)13-4-3-5-15-13/h6H,3-5H2,1-2H3
InChIKeyHMIGJELIIZUASF-UHFFFAOYSA-N
MW207.23 g/mol
LogP0.87
Rot. Bonds1

About (3,6-dimethylpyridazin-4-yl)-(1,2-oxazolidin-2-yl)methanone

(3,6-dimethylpyridazin-4-yl)-(1,2-oxazolidin-2-yl)methanone (PubChem CID 104671096) has the molecular formula C10H13N3O2 and a molecular weight of 207.23 g/mol. Its IUPAC name is (3,6-dimethylpyridazin-4-yl)-(1,2-oxazolidin-2-yl)methanone.

Molecular Properties

Compound Name(3,6-dimethylpyridazin-4-yl)-(1,2-oxazolidin-2-yl)methanone
PubChem CID104671096
Molecular FormulaC10H13N3O2
Molecular Weight207.23 g/mol
Exact Mass207.10
IUPAC Name(3,6-dimethylpyridazin-4-yl)-(1,2-oxazolidin-2-yl)methanone
SMILESCc1cc(C(=O)N2CCCO2)c(C)nn1
InChIInChI=1S/C10H13N3O2/c1-7-6-9(8(2)12-11-7)10(14)13-4-3-5-15-13/h6H,3-5H2,1-2H3
InChIKeyHMIGJELIIZUASF-UHFFFAOYSA-N
XLogP0.87
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.23
LogP ≤ 50.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3,6-dimethylpyridazin-4-yl)-(1,2-oxazolidin-2-yl)methanone?
The IUPAC name of (3,6-dimethylpyridazin-4-yl)-(1,2-oxazolidin-2-yl)methanone (CID 104671096) is (3,6-dimethylpyridazin-4-yl)-(1,2-oxazolidin-2-yl)methanone.
What is the SMILES notation for (3,6-dimethylpyridazin-4-yl)-(1,2-oxazolidin-2-yl)methanone?
The canonical SMILES for (3,6-dimethylpyridazin-4-yl)-(1,2-oxazolidin-2-yl)methanone is Cc1cc(C(=O)N2CCCO2)c(C)nn1.
What is the InChIKey of (3,6-dimethylpyridazin-4-yl)-(1,2-oxazolidin-2-yl)methanone?
The InChIKey is HMIGJELIIZUASF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O2/c1-7-6-9(8(2)12-11-7)10(14)13-4-3-5-15-13/h6H,3-5H2,1-2H3.
What are the key properties of (3,6-dimethylpyridazin-4-yl)-(1,2-oxazolidin-2-yl)methanone?
(3,6-dimethylpyridazin-4-yl)-(1,2-oxazolidin-2-yl)methanone has a molecular weight of 207.23 g/mol, XLogP of 0.87, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3,6-dimethylpyridazin-4-yl)-(1,2-oxazolidin-2-yl)methanone is sourced from PubChem (CID 104671096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).