4-benzyl-2-methoxy-3,4a,7,7a-tetrahydro-2H-furo[3,4-b][1,4]oxazin-5-one

C14H17NO4 — CID 68717759

IUPAC4-benzyl-2-methoxy-3,4a,7,7a-tetrahydro-2H-furo[3,4-b][1,4]oxazin-5-one
SMILESCOC1CN(Cc2ccccc2)C2C(=O)OCC2O1
InChIInChI=1S/C14H17NO4/c1-17-12-8-15(7-10-5-3-2-4-6-10)13-11(19-12)9-18-14(13)16/h2-6,11-13H,7-9H2,1H3
InChIKeyXWOQIWYSRXGOJX-UHFFFAOYSA-N
MW263.29 g/mol
LogP0.79
Rot. Bonds3

About 4-benzyl-2-methoxy-3,4a,7,7a-tetrahydro-2H-furo[3,4-b][1,4]oxazin-5-one

4-benzyl-2-methoxy-3,4a,7,7a-tetrahydro-2H-furo[3,4-b][1,4]oxazin-5-one (PubChem CID 68717759) has the molecular formula C14H17NO4 and a molecular weight of 263.29 g/mol. Its IUPAC name is 4-benzyl-2-methoxy-3,4a,7,7a-tetrahydro-2H-furo[3,4-b][1,4]oxazin-5-one.

Molecular Properties

Compound Name4-benzyl-2-methoxy-3,4a,7,7a-tetrahydro-2H-furo[3,4-b][1,4]oxazin-5-one
PubChem CID68717759
Molecular FormulaC14H17NO4
Molecular Weight263.29 g/mol
Exact Mass263.12
IUPAC Name4-benzyl-2-methoxy-3,4a,7,7a-tetrahydro-2H-furo[3,4-b][1,4]oxazin-5-one
SMILESCOC1CN(Cc2ccccc2)C2C(=O)OCC2O1
InChIInChI=1S/C14H17NO4/c1-17-12-8-15(7-10-5-3-2-4-6-10)13-11(19-12)9-18-14(13)16/h2-6,11-13H,7-9H2,1H3
InChIKeyXWOQIWYSRXGOJX-UHFFFAOYSA-N
XLogP0.79
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.29
LogP ≤ 50.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 4-benzyl-2-methoxy-3,4a,7,7a-tetrahydro-2H-furo[3,4-b][1,4]oxazin-5-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-benzyl-2-methoxy-3,4a,7,7a-tetrahydro-2H-furo[3,4-b][1,4]oxazin-5-one?
The IUPAC name of 4-benzyl-2-methoxy-3,4a,7,7a-tetrahydro-2H-furo[3,4-b][1,4]oxazin-5-one (CID 68717759) is 4-benzyl-2-methoxy-3,4a,7,7a-tetrahydro-2H-furo[3,4-b][1,4]oxazin-5-one.
What is the SMILES notation for 4-benzyl-2-methoxy-3,4a,7,7a-tetrahydro-2H-furo[3,4-b][1,4]oxazin-5-one?
The canonical SMILES for 4-benzyl-2-methoxy-3,4a,7,7a-tetrahydro-2H-furo[3,4-b][1,4]oxazin-5-one is COC1CN(Cc2ccccc2)C2C(=O)OCC2O1.
What is the InChIKey of 4-benzyl-2-methoxy-3,4a,7,7a-tetrahydro-2H-furo[3,4-b][1,4]oxazin-5-one?
The InChIKey is XWOQIWYSRXGOJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO4/c1-17-12-8-15(7-10-5-3-2-4-6-10)13-11(19-12)9-18-14(13)16/h2-6,11-13H,7-9H2,1H3.
What are the key properties of 4-benzyl-2-methoxy-3,4a,7,7a-tetrahydro-2H-furo[3,4-b][1,4]oxazin-5-one?
4-benzyl-2-methoxy-3,4a,7,7a-tetrahydro-2H-furo[3,4-b][1,4]oxazin-5-one has a molecular weight of 263.29 g/mol, XLogP of 0.79, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzyl-2-methoxy-3,4a,7,7a-tetrahydro-2H-furo[3,4-b][1,4]oxazin-5-one is sourced from PubChem (CID 68717759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).