7a-[(6-chloropyridazin-3-yl)oxymethyl]-1,3,5,7-tetrahydro-[1,3]oxazolo[3,4-c][1,3]oxazole

C10H12ClN3O3 — CID 102386626

IUPAC7a-[(6-chloropyridazin-3-yl)oxymethyl]-1,3,5,7-tetrahydro-[1,3]oxazolo[3,4-c][1,3]oxazole
SMILESClc1ccc(OCC23COCN2COC3)nn1
InChIInChI=1S/C10H12ClN3O3/c11-8-1-2-9(13-12-8)17-5-10-3-15-6-14(10)7-16-4-10/h1-2H,3-7H2
InChIKeyJMALIWSSQZFRAO-UHFFFAOYSA-N
MW257.68 g/mol
LogP0.52
Rot. Bonds3

About 7a-[(6-chloropyridazin-3-yl)oxymethyl]-1,3,5,7-tetrahydro-[1,3]oxazolo[3,4-c][1,3]oxazole

7a-[(6-chloropyridazin-3-yl)oxymethyl]-1,3,5,7-tetrahydro-[1,3]oxazolo[3,4-c][1,3]oxazole (PubChem CID 102386626) has the molecular formula C10H12ClN3O3 and a molecular weight of 257.68 g/mol. Its IUPAC name is 7a-[(6-chloropyridazin-3-yl)oxymethyl]-1,3,5,7-tetrahydro-[1,3]oxazolo[3,4-c][1,3]oxazole.

Molecular Properties

Compound Name7a-[(6-chloropyridazin-3-yl)oxymethyl]-1,3,5,7-tetrahydro-[1,3]oxazolo[3,4-c][1,3]oxazole
PubChem CID102386626
Molecular FormulaC10H12ClN3O3
Molecular Weight257.68 g/mol
Exact Mass257.06
IUPAC Name7a-[(6-chloropyridazin-3-yl)oxymethyl]-1,3,5,7-tetrahydro-[1,3]oxazolo[3,4-c][1,3]oxazole
SMILESClc1ccc(OCC23COCN2COC3)nn1
InChIInChI=1S/C10H12ClN3O3/c11-8-1-2-9(13-12-8)17-5-10-3-15-6-14(10)7-16-4-10/h1-2H,3-7H2
InChIKeyJMALIWSSQZFRAO-UHFFFAOYSA-N
XLogP0.52
TPSA56.71 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.68
LogP ≤ 50.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 7a-[(6-chloropyridazin-3-yl)oxymethyl]-1,3,5,7-tetrahydro-[1,3]oxazolo[3,4-c][1,3]oxazole?
The IUPAC name of 7a-[(6-chloropyridazin-3-yl)oxymethyl]-1,3,5,7-tetrahydro-[1,3]oxazolo[3,4-c][1,3]oxazole (CID 102386626) is 7a-[(6-chloropyridazin-3-yl)oxymethyl]-1,3,5,7-tetrahydro-[1,3]oxazolo[3,4-c][1,3]oxazole.
What is the SMILES notation for 7a-[(6-chloropyridazin-3-yl)oxymethyl]-1,3,5,7-tetrahydro-[1,3]oxazolo[3,4-c][1,3]oxazole?
The canonical SMILES for 7a-[(6-chloropyridazin-3-yl)oxymethyl]-1,3,5,7-tetrahydro-[1,3]oxazolo[3,4-c][1,3]oxazole is Clc1ccc(OCC23COCN2COC3)nn1.
What is the InChIKey of 7a-[(6-chloropyridazin-3-yl)oxymethyl]-1,3,5,7-tetrahydro-[1,3]oxazolo[3,4-c][1,3]oxazole?
The InChIKey is JMALIWSSQZFRAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClN3O3/c11-8-1-2-9(13-12-8)17-5-10-3-15-6-14(10)7-16-4-10/h1-2H,3-7H2.
What are the key properties of 7a-[(6-chloropyridazin-3-yl)oxymethyl]-1,3,5,7-tetrahydro-[1,3]oxazolo[3,4-c][1,3]oxazole?
7a-[(6-chloropyridazin-3-yl)oxymethyl]-1,3,5,7-tetrahydro-[1,3]oxazolo[3,4-c][1,3]oxazole has a molecular weight of 257.68 g/mol, XLogP of 0.52, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7a-[(6-chloropyridazin-3-yl)oxymethyl]-1,3,5,7-tetrahydro-[1,3]oxazolo[3,4-c][1,3]oxazole is sourced from PubChem (CID 102386626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).