8a-methyl-1,5,6,8-tetrahydro-[1,3]oxazolo[4,3-c][1,4]oxazin-3-one

C7H11NO3 — CID 165353714

IUPAC8a-methyl-1,5,6,8-tetrahydro-[1,3]oxazolo[4,3-c][1,4]oxazin-3-one
SMILESCC12COCCN1C(=O)OC2
InChIInChI=1S/C7H11NO3/c1-7-4-10-3-2-8(7)6(9)11-5-7/h2-5H2,1H3
InChIKeyVLOJUIDRMDSZPH-UHFFFAOYSA-N
MW157.17 g/mol
LogP0.23
Rot. Bonds

About 8a-methyl-1,5,6,8-tetrahydro-[1,3]oxazolo[4,3-c][1,4]oxazin-3-one

8a-methyl-1,5,6,8-tetrahydro-[1,3]oxazolo[4,3-c][1,4]oxazin-3-one (PubChem CID 165353714) has the molecular formula C7H11NO3 and a molecular weight of 157.17 g/mol. Its IUPAC name is 8a-methyl-1,5,6,8-tetrahydro-[1,3]oxazolo[4,3-c][1,4]oxazin-3-one.

Molecular Properties

Compound Name8a-methyl-1,5,6,8-tetrahydro-[1,3]oxazolo[4,3-c][1,4]oxazin-3-one
PubChem CID165353714
Molecular FormulaC7H11NO3
Molecular Weight157.17 g/mol
Exact Mass157.07
IUPAC Name8a-methyl-1,5,6,8-tetrahydro-[1,3]oxazolo[4,3-c][1,4]oxazin-3-one
SMILESCC12COCCN1C(=O)OC2
InChIInChI=1S/C7H11NO3/c1-7-4-10-3-2-8(7)6(9)11-5-7/h2-5H2,1H3
InChIKeyVLOJUIDRMDSZPH-UHFFFAOYSA-N
XLogP0.23
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.17
LogP ≤ 50.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 8a-methyl-1,5,6,8-tetrahydro-[1,3]oxazolo[4,3-c][1,4]oxazin-3-one?
The IUPAC name of 8a-methyl-1,5,6,8-tetrahydro-[1,3]oxazolo[4,3-c][1,4]oxazin-3-one (CID 165353714) is 8a-methyl-1,5,6,8-tetrahydro-[1,3]oxazolo[4,3-c][1,4]oxazin-3-one.
What is the SMILES notation for 8a-methyl-1,5,6,8-tetrahydro-[1,3]oxazolo[4,3-c][1,4]oxazin-3-one?
The canonical SMILES for 8a-methyl-1,5,6,8-tetrahydro-[1,3]oxazolo[4,3-c][1,4]oxazin-3-one is CC12COCCN1C(=O)OC2.
What is the InChIKey of 8a-methyl-1,5,6,8-tetrahydro-[1,3]oxazolo[4,3-c][1,4]oxazin-3-one?
The InChIKey is VLOJUIDRMDSZPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11NO3/c1-7-4-10-3-2-8(7)6(9)11-5-7/h2-5H2,1H3.
What are the key properties of 8a-methyl-1,5,6,8-tetrahydro-[1,3]oxazolo[4,3-c][1,4]oxazin-3-one?
8a-methyl-1,5,6,8-tetrahydro-[1,3]oxazolo[4,3-c][1,4]oxazin-3-one has a molecular weight of 157.17 g/mol, XLogP of 0.23, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8a-methyl-1,5,6,8-tetrahydro-[1,3]oxazolo[4,3-c][1,4]oxazin-3-one is sourced from PubChem (CID 165353714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).