1-oxo-7-(3-oxomorpholin-4-yl)-3a,4-dihydro-3H-[1,3]oxazolo[4,3-c][1,4]benzoxazine-3-carboxylic acid

C15H14N2O7 — CID 123824235

IUPAC1-oxo-7-(3-oxomorpholin-4-yl)-3a,4-dihydro-3H-[1,3]oxazolo[4,3-c][1,4]benzoxazine-3-carboxylic acid
SMILESO=C(O)C1OC(=O)N2c3ccc(N4CCOCC4=O)cc3OCC12
InChIInChI=1S/C15H14N2O7/c18-12-7-22-4-3-16(12)8-1-2-9-11(5-8)23-6-10-13(14(19)20)24-15(21)17(9)10/h1-2,5,10,13H,3-4,6-7H2,(H,19,20)
InChIKeyXCQFOZWQDZNCGR-UHFFFAOYSA-N
MW334.28 g/mol
LogP0.22
Rot. Bonds2

About 1-oxo-7-(3-oxomorpholin-4-yl)-3a,4-dihydro-3H-[1,3]oxazolo[4,3-c][1,4]benzoxazine-3-carboxylic acid

1-oxo-7-(3-oxomorpholin-4-yl)-3a,4-dihydro-3H-[1,3]oxazolo[4,3-c][1,4]benzoxazine-3-carboxylic acid (PubChem CID 123824235) has the molecular formula C15H14N2O7 and a molecular weight of 334.28 g/mol. Its IUPAC name is 1-oxo-7-(3-oxomorpholin-4-yl)-3a,4-dihydro-3H-[1,3]oxazolo[4,3-c][1,4]benzoxazine-3-carboxylic acid.

Molecular Properties

Compound Name1-oxo-7-(3-oxomorpholin-4-yl)-3a,4-dihydro-3H-[1,3]oxazolo[4,3-c][1,4]benzoxazine-3-carboxylic acid
PubChem CID123824235
Molecular FormulaC15H14N2O7
Molecular Weight334.28 g/mol
Exact Mass334.08
IUPAC Name1-oxo-7-(3-oxomorpholin-4-yl)-3a,4-dihydro-3H-[1,3]oxazolo[4,3-c][1,4]benzoxazine-3-carboxylic acid
SMILESO=C(O)C1OC(=O)N2c3ccc(N4CCOCC4=O)cc3OCC12
InChIInChI=1S/C15H14N2O7/c18-12-7-22-4-3-16(12)8-1-2-9-11(5-8)23-6-10-13(14(19)20)24-15(21)17(9)10/h1-2,5,10,13H,3-4,6-7H2,(H,19,20)
InChIKeyXCQFOZWQDZNCGR-UHFFFAOYSA-N
XLogP0.22
TPSA105.61 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.28
LogP ≤ 50.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-oxo-7-(3-oxomorpholin-4-yl)-3a,4-dihydro-3H-[1,3]oxazolo[4,3-c][1,4]benzoxazine-3-carboxylic acid?
The IUPAC name of 1-oxo-7-(3-oxomorpholin-4-yl)-3a,4-dihydro-3H-[1,3]oxazolo[4,3-c][1,4]benzoxazine-3-carboxylic acid (CID 123824235) is 1-oxo-7-(3-oxomorpholin-4-yl)-3a,4-dihydro-3H-[1,3]oxazolo[4,3-c][1,4]benzoxazine-3-carboxylic acid.
What is the SMILES notation for 1-oxo-7-(3-oxomorpholin-4-yl)-3a,4-dihydro-3H-[1,3]oxazolo[4,3-c][1,4]benzoxazine-3-carboxylic acid?
The canonical SMILES for 1-oxo-7-(3-oxomorpholin-4-yl)-3a,4-dihydro-3H-[1,3]oxazolo[4,3-c][1,4]benzoxazine-3-carboxylic acid is O=C(O)C1OC(=O)N2c3ccc(N4CCOCC4=O)cc3OCC12.
What is the InChIKey of 1-oxo-7-(3-oxomorpholin-4-yl)-3a,4-dihydro-3H-[1,3]oxazolo[4,3-c][1,4]benzoxazine-3-carboxylic acid?
The InChIKey is XCQFOZWQDZNCGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O7/c18-12-7-22-4-3-16(12)8-1-2-9-11(5-8)23-6-10-13(14(19)20)24-15(21)17(9)10/h1-2,5,10,13H,3-4,6-7H2,(H,19,20).
What are the key properties of 1-oxo-7-(3-oxomorpholin-4-yl)-3a,4-dihydro-3H-[1,3]oxazolo[4,3-c][1,4]benzoxazine-3-carboxylic acid?
1-oxo-7-(3-oxomorpholin-4-yl)-3a,4-dihydro-3H-[1,3]oxazolo[4,3-c][1,4]benzoxazine-3-carboxylic acid has a molecular weight of 334.28 g/mol, XLogP of 0.22, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-oxo-7-(3-oxomorpholin-4-yl)-3a,4-dihydro-3H-[1,3]oxazolo[4,3-c][1,4]benzoxazine-3-carboxylic acid is sourced from PubChem (CID 123824235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).