3-oxo-4H-furo[3,4-b][1,4]oxazine-5-carboxylic acid

C7H5NO5 — CID 82376894

IUPAC3-oxo-4H-furo[3,4-b][1,4]oxazine-5-carboxylic acid
SMILESO=C1COc2coc(C(=O)O)c2N1
InChIInChI=1S/C7H5NO5/c9-4-2-12-3-1-13-6(7(10)11)5(3)8-4/h1H,2H2,(H,8,9)(H,10,11)
InChIKeyNWOGZYFBSNQOPL-UHFFFAOYSA-N
MW183.12 g/mol
LogP0.31
Rot. Bonds1

About 3-oxo-4H-furo[3,4-b][1,4]oxazine-5-carboxylic acid

3-oxo-4H-furo[3,4-b][1,4]oxazine-5-carboxylic acid (PubChem CID 82376894) has the molecular formula C7H5NO5 and a molecular weight of 183.12 g/mol. Its IUPAC name is 3-oxo-4H-furo[3,4-b][1,4]oxazine-5-carboxylic acid.

Molecular Properties

Compound Name3-oxo-4H-furo[3,4-b][1,4]oxazine-5-carboxylic acid
PubChem CID82376894
Molecular FormulaC7H5NO5
Molecular Weight183.12 g/mol
Exact Mass183.02
IUPAC Name3-oxo-4H-furo[3,4-b][1,4]oxazine-5-carboxylic acid
SMILESO=C1COc2coc(C(=O)O)c2N1
InChIInChI=1S/C7H5NO5/c9-4-2-12-3-1-13-6(7(10)11)5(3)8-4/h1H,2H2,(H,8,9)(H,10,11)
InChIKeyNWOGZYFBSNQOPL-UHFFFAOYSA-N
XLogP0.31
TPSA88.77 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.12
LogP ≤ 50.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-oxo-4H-furo[3,4-b][1,4]oxazine-5-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3,4-dihydro-2H-furo[3,4-b][1,4]dioxepine-6-carboxylic acid
CID 83668316
3-(3-oxo-4H-1,4-benzoxazin-5-yl)-1,2-oxazole-5-carboxylic acid
CID 117404208
5-fluoro-4H-1,4-benzoxazin-3-one
CID 54758768
methyl 3-oxo-4H-1,4-benzoxazine-5-carboxylate
CID 59153381
2-[(3-oxo-4H-1,4-benzoxazin-5-yl)oxymethyl]prop-2-enoic acid
CID 166364767
1-[(3-oxo-4H-1,4-benzoxazin-5-yl)sulfanyl]cyclobutane-1-carboxylic acid
CID 127042547
6,7-difluoro-4H-1,4-benzoxazin-3-one
CID 46930344
2-[(3-oxo-4H-1,4-benzoxazin-5-yl)sulfonylamino]benzoic acid
CID 166211679
1-benzyl-3-(3-oxo-4H-1,4-benzoxazin-5-yl)urea
CID 110747359
6-amino-5,7-dichloro-4H-1,4-benzoxazin-3-one
CID 82231475
7-benzoyl-4H-1,4-benzoxazin-3-one
CID 3087778
6-(4-acetylpiperazine-1-carbonyl)-4H-1,4-benzoxazin-3-one
CID 110763765

Frequently Asked Questions

What is the IUPAC name of 3-oxo-4H-furo[3,4-b][1,4]oxazine-5-carboxylic acid?
The IUPAC name of 3-oxo-4H-furo[3,4-b][1,4]oxazine-5-carboxylic acid (CID 82376894) is 3-oxo-4H-furo[3,4-b][1,4]oxazine-5-carboxylic acid.
What is the SMILES notation for 3-oxo-4H-furo[3,4-b][1,4]oxazine-5-carboxylic acid?
The canonical SMILES for 3-oxo-4H-furo[3,4-b][1,4]oxazine-5-carboxylic acid is O=C1COc2coc(C(=O)O)c2N1.
What is the InChIKey of 3-oxo-4H-furo[3,4-b][1,4]oxazine-5-carboxylic acid?
The InChIKey is NWOGZYFBSNQOPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5NO5/c9-4-2-12-3-1-13-6(7(10)11)5(3)8-4/h1H,2H2,(H,8,9)(H,10,11).
What are the key properties of 3-oxo-4H-furo[3,4-b][1,4]oxazine-5-carboxylic acid?
3-oxo-4H-furo[3,4-b][1,4]oxazine-5-carboxylic acid has a molecular weight of 183.12 g/mol, XLogP of 0.31, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-oxo-4H-furo[3,4-b][1,4]oxazine-5-carboxylic acid is sourced from PubChem (CID 82376894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).