2-(furan-2-yl)-3-oxo-4,5-dihydropyrrolo[3,2-b][1,4]oxazine-6-carboxylic acid

C11H8N2O5 — CID 82377383

IUPAC2-(furan-2-yl)-3-oxo-4,5-dihydropyrrolo[3,2-b][1,4]oxazine-6-carboxylic acid
SMILESO=C(O)c1cc2c([nH]1)NC(=O)C(c1ccco1)O2
InChIInChI=1S/C11H8N2O5/c14-10-8(6-2-1-3-17-6)18-7-4-5(11(15)16)12-9(7)13-10/h1-4,8,12H,(H,13,14)(H,15,16)
InChIKeyMGMCWTZRPMGYIN-UHFFFAOYSA-N
MW248.19 g/mol
LogP1.38
Rot. Bonds2

About 2-(furan-2-yl)-3-oxo-4,5-dihydropyrrolo[3,2-b][1,4]oxazine-6-carboxylic acid

2-(furan-2-yl)-3-oxo-4,5-dihydropyrrolo[3,2-b][1,4]oxazine-6-carboxylic acid (PubChem CID 82377383) has the molecular formula C11H8N2O5 and a molecular weight of 248.19 g/mol. Its IUPAC name is 2-(furan-2-yl)-3-oxo-4,5-dihydropyrrolo[3,2-b][1,4]oxazine-6-carboxylic acid.

Molecular Properties

Compound Name2-(furan-2-yl)-3-oxo-4,5-dihydropyrrolo[3,2-b][1,4]oxazine-6-carboxylic acid
PubChem CID82377383
Molecular FormulaC11H8N2O5
Molecular Weight248.19 g/mol
Exact Mass248.04
IUPAC Name2-(furan-2-yl)-3-oxo-4,5-dihydropyrrolo[3,2-b][1,4]oxazine-6-carboxylic acid
SMILESO=C(O)c1cc2c([nH]1)NC(=O)C(c1ccco1)O2
InChIInChI=1S/C11H8N2O5/c14-10-8(6-2-1-3-17-6)18-7-4-5(11(15)16)12-9(7)13-10/h1-4,8,12H,(H,13,14)(H,15,16)
InChIKeyMGMCWTZRPMGYIN-UHFFFAOYSA-N
XLogP1.38
TPSA104.56 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.19
LogP ≤ 51.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 2-(furan-2-yl)-3-oxo-4,5-dihydropyrrolo[3,2-b][1,4]oxazine-6-carboxylic acid with MolForge

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Related Compounds

4-(furan-2-yl)-5-methoxycarbonyl-2,6-dimethyl-1,4-dihydropyridine-3-carboxylic acid
CID 19856685
3-cyclopropyl-2-oxo-1,5-dihydropyrrolo[2,3-b][1,4]oxazine-6-carboxylic acid
CID 82377367
5-O-ethyl 3-O-methyl (4S)-4-(furan-2-yl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate
CID 748387
1-amino-2-(furan-2-yl)cyclopropane-1-carboxylic acid
CID 55297115
4-(furan-2-yl)-6-methoxycarbonyl-2-methyl-1,4-dihydropyridine-3-carboxylic acid
CID 90469792
2,4-bis(furan-2-yl)cyclobutane-1,3-dicarboxylic acid
CID 137370721
(3S,4S)-4-(furan-2-yl)-3-prop-1-en-2-ylazetidin-2-one
CID 131123234
3-[(3S)-2-benzoyl-3-(furan-2-yl)-3,4-dihydropyrazol-5-yl]-6-bromo-4-phenyl-1H-quinolin-2-one
CID 137084948
propan-2-yl (4R)-4-(furan-2-yl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 1161319
3-[(3S)-2-(furan-2-carbonyl)-3-(furan-2-yl)-3,4-dihydropyrazol-5-yl]-6-methyl-4-phenyl-1H-quinolin-2-one
CID 135898178
5-(furan-2-yl)-2-oxoimidazolidine-4-carboxylic acid
CID 112710445
ethyl 5-acetyl-4-(furan-2-yl)-2,6-dimethyl-1,4-dihydropyridine-3-carboxylate
CID 102176360

Frequently Asked Questions

What is the IUPAC name of 2-(furan-2-yl)-3-oxo-4,5-dihydropyrrolo[3,2-b][1,4]oxazine-6-carboxylic acid?
The IUPAC name of 2-(furan-2-yl)-3-oxo-4,5-dihydropyrrolo[3,2-b][1,4]oxazine-6-carboxylic acid (CID 82377383) is 2-(furan-2-yl)-3-oxo-4,5-dihydropyrrolo[3,2-b][1,4]oxazine-6-carboxylic acid.
What is the SMILES notation for 2-(furan-2-yl)-3-oxo-4,5-dihydropyrrolo[3,2-b][1,4]oxazine-6-carboxylic acid?
The canonical SMILES for 2-(furan-2-yl)-3-oxo-4,5-dihydropyrrolo[3,2-b][1,4]oxazine-6-carboxylic acid is O=C(O)c1cc2c([nH]1)NC(=O)C(c1ccco1)O2.
What is the InChIKey of 2-(furan-2-yl)-3-oxo-4,5-dihydropyrrolo[3,2-b][1,4]oxazine-6-carboxylic acid?
The InChIKey is MGMCWTZRPMGYIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8N2O5/c14-10-8(6-2-1-3-17-6)18-7-4-5(11(15)16)12-9(7)13-10/h1-4,8,12H,(H,13,14)(H,15,16).
What are the key properties of 2-(furan-2-yl)-3-oxo-4,5-dihydropyrrolo[3,2-b][1,4]oxazine-6-carboxylic acid?
2-(furan-2-yl)-3-oxo-4,5-dihydropyrrolo[3,2-b][1,4]oxazine-6-carboxylic acid has a molecular weight of 248.19 g/mol, XLogP of 1.38, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(furan-2-yl)-3-oxo-4,5-dihydropyrrolo[3,2-b][1,4]oxazine-6-carboxylic acid is sourced from PubChem (CID 82377383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).