2,6-dimethyl-3,5,6,7a-tetrahydro-2H-[1,3]oxazolo[2,3-b][1,3]oxazole

C7H13NO2 — CID 89356931

IUPAC2,6-dimethyl-3,5,6,7a-tetrahydro-2H-[1,3]oxazolo[2,3-b][1,3]oxazole
SMILESCC1CN2CC(C)OC2O1
InChIInChI=1S/C7H13NO2/c1-5-3-8-4-6(2)10-7(8)9-5/h5-7H,3-4H2,1-2H3
InChIKeyYZWUZNXTKSCDOQ-UHFFFAOYSA-N
MW143.19 g/mol
LogP0.41
Rot. Bonds

About 2,6-dimethyl-3,5,6,7a-tetrahydro-2H-[1,3]oxazolo[2,3-b][1,3]oxazole

2,6-dimethyl-3,5,6,7a-tetrahydro-2H-[1,3]oxazolo[2,3-b][1,3]oxazole (PubChem CID 89356931) has the molecular formula C7H13NO2 and a molecular weight of 143.19 g/mol. Its IUPAC name is 2,6-dimethyl-3,5,6,7a-tetrahydro-2H-[1,3]oxazolo[2,3-b][1,3]oxazole.

Molecular Properties

Compound Name2,6-dimethyl-3,5,6,7a-tetrahydro-2H-[1,3]oxazolo[2,3-b][1,3]oxazole
PubChem CID89356931
Molecular FormulaC7H13NO2
Molecular Weight143.19 g/mol
Exact Mass143.09
IUPAC Name2,6-dimethyl-3,5,6,7a-tetrahydro-2H-[1,3]oxazolo[2,3-b][1,3]oxazole
SMILESCC1CN2CC(C)OC2O1
InChIInChI=1S/C7H13NO2/c1-5-3-8-4-6(2)10-7(8)9-5/h5-7H,3-4H2,1-2H3
InChIKeyYZWUZNXTKSCDOQ-UHFFFAOYSA-N
XLogP0.41
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.19
LogP ≤ 50.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,6-dimethyl-3,5,6,7a-tetrahydro-2H-[1,3]oxazolo[2,3-b][1,3]oxazole?
The IUPAC name of 2,6-dimethyl-3,5,6,7a-tetrahydro-2H-[1,3]oxazolo[2,3-b][1,3]oxazole (CID 89356931) is 2,6-dimethyl-3,5,6,7a-tetrahydro-2H-[1,3]oxazolo[2,3-b][1,3]oxazole.
What is the SMILES notation for 2,6-dimethyl-3,5,6,7a-tetrahydro-2H-[1,3]oxazolo[2,3-b][1,3]oxazole?
The canonical SMILES for 2,6-dimethyl-3,5,6,7a-tetrahydro-2H-[1,3]oxazolo[2,3-b][1,3]oxazole is CC1CN2CC(C)OC2O1.
What is the InChIKey of 2,6-dimethyl-3,5,6,7a-tetrahydro-2H-[1,3]oxazolo[2,3-b][1,3]oxazole?
The InChIKey is YZWUZNXTKSCDOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO2/c1-5-3-8-4-6(2)10-7(8)9-5/h5-7H,3-4H2,1-2H3.
What are the key properties of 2,6-dimethyl-3,5,6,7a-tetrahydro-2H-[1,3]oxazolo[2,3-b][1,3]oxazole?
2,6-dimethyl-3,5,6,7a-tetrahydro-2H-[1,3]oxazolo[2,3-b][1,3]oxazole has a molecular weight of 143.19 g/mol, XLogP of 0.41, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethyl-3,5,6,7a-tetrahydro-2H-[1,3]oxazolo[2,3-b][1,3]oxazole is sourced from PubChem (CID 89356931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).