3-[3-(5,6-dimethylpyridazin-3-yl)oxypropyl]-1,3-oxazolidin-2-one

C12H17N3O3 — CID 56782754

IUPAC3-[3-(5,6-dimethylpyridazin-3-yl)oxypropyl]-1,3-oxazolidin-2-one
SMILESCc1cc(OCCCN2CCOC2=O)nnc1C
InChIInChI=1S/C12H17N3O3/c1-9-8-11(14-13-10(9)2)17-6-3-4-15-5-7-18-12(15)16/h8H,3-7H2,1-2H3
InChIKeyKLJGDDZJAAOPSY-UHFFFAOYSA-N
MW251.29 g/mol
LogP1.31
Rot. Bonds5

About 3-[3-(5,6-dimethylpyridazin-3-yl)oxypropyl]-1,3-oxazolidin-2-one

3-[3-(5,6-dimethylpyridazin-3-yl)oxypropyl]-1,3-oxazolidin-2-one (PubChem CID 56782754) has the molecular formula C12H17N3O3 and a molecular weight of 251.29 g/mol. Its IUPAC name is 3-[3-(5,6-dimethylpyridazin-3-yl)oxypropyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-[3-(5,6-dimethylpyridazin-3-yl)oxypropyl]-1,3-oxazolidin-2-one
PubChem CID56782754
Molecular FormulaC12H17N3O3
Molecular Weight251.29 g/mol
Exact Mass251.13
IUPAC Name3-[3-(5,6-dimethylpyridazin-3-yl)oxypropyl]-1,3-oxazolidin-2-one
SMILESCc1cc(OCCCN2CCOC2=O)nnc1C
InChIInChI=1S/C12H17N3O3/c1-9-8-11(14-13-10(9)2)17-6-3-4-15-5-7-18-12(15)16/h8H,3-7H2,1-2H3
InChIKeyKLJGDDZJAAOPSY-UHFFFAOYSA-N
XLogP1.31
TPSA64.55 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.29
LogP ≤ 51.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[3-(5,6-dimethylpyridazin-3-yl)oxypropyl]-1,3-oxazolidin-2-one?
The IUPAC name of 3-[3-(5,6-dimethylpyridazin-3-yl)oxypropyl]-1,3-oxazolidin-2-one (CID 56782754) is 3-[3-(5,6-dimethylpyridazin-3-yl)oxypropyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-[3-(5,6-dimethylpyridazin-3-yl)oxypropyl]-1,3-oxazolidin-2-one?
The canonical SMILES for 3-[3-(5,6-dimethylpyridazin-3-yl)oxypropyl]-1,3-oxazolidin-2-one is Cc1cc(OCCCN2CCOC2=O)nnc1C.
What is the InChIKey of 3-[3-(5,6-dimethylpyridazin-3-yl)oxypropyl]-1,3-oxazolidin-2-one?
The InChIKey is KLJGDDZJAAOPSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O3/c1-9-8-11(14-13-10(9)2)17-6-3-4-15-5-7-18-12(15)16/h8H,3-7H2,1-2H3.
What are the key properties of 3-[3-(5,6-dimethylpyridazin-3-yl)oxypropyl]-1,3-oxazolidin-2-one?
3-[3-(5,6-dimethylpyridazin-3-yl)oxypropyl]-1,3-oxazolidin-2-one has a molecular weight of 251.29 g/mol, XLogP of 1.31, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(5,6-dimethylpyridazin-3-yl)oxypropyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 56782754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).