3-(furan-2-yl)-1-methyl-2,3-dihydrofuro[2,3-b][1,4]oxazine-6-carboxylic acid

C12H11NO5 — CID 82376926

IUPAC3-(furan-2-yl)-1-methyl-2,3-dihydrofuro[2,3-b][1,4]oxazine-6-carboxylic acid
SMILESCN1CC(c2ccco2)Oc2oc(C(=O)O)cc21
InChIInChI=1S/C12H11NO5/c1-13-6-10(8-3-2-4-16-8)18-12-7(13)5-9(17-12)11(14)15/h2-5,10H,6H2,1H3,(H,14,15)
InChIKeyCTMIUZXSLOPFPH-UHFFFAOYSA-N
MW249.22 g/mol
LogP2.14
Rot. Bonds2

About 3-(furan-2-yl)-1-methyl-2,3-dihydrofuro[2,3-b][1,4]oxazine-6-carboxylic acid

3-(furan-2-yl)-1-methyl-2,3-dihydrofuro[2,3-b][1,4]oxazine-6-carboxylic acid (PubChem CID 82376926) has the molecular formula C12H11NO5 and a molecular weight of 249.22 g/mol. Its IUPAC name is 3-(furan-2-yl)-1-methyl-2,3-dihydrofuro[2,3-b][1,4]oxazine-6-carboxylic acid.

Molecular Properties

Compound Name3-(furan-2-yl)-1-methyl-2,3-dihydrofuro[2,3-b][1,4]oxazine-6-carboxylic acid
PubChem CID82376926
Molecular FormulaC12H11NO5
Molecular Weight249.22 g/mol
Exact Mass249.06
IUPAC Name3-(furan-2-yl)-1-methyl-2,3-dihydrofuro[2,3-b][1,4]oxazine-6-carboxylic acid
SMILESCN1CC(c2ccco2)Oc2oc(C(=O)O)cc21
InChIInChI=1S/C12H11NO5/c1-13-6-10(8-3-2-4-16-8)18-12-7(13)5-9(17-12)11(14)15/h2-5,10H,6H2,1H3,(H,14,15)
InChIKeyCTMIUZXSLOPFPH-UHFFFAOYSA-N
XLogP2.14
TPSA76.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.22
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-(furan-2-yl)-1-methyl-2,3-dihydrofuro[2,3-b][1,4]oxazine-6-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

5-[(2S,4R)-2-(furan-2-yl)-4-methylpiperidine-1-carbonyl]furan-2-carboxylic acid
CID 124692737
furan-2-carboxylic acid;gold
CID 174701575
1-acetyl-3-propan-2-yl-2,3-dihydrofuro[2,3-b][1,4]oxazine-6-carboxylic acid
CID 82376964
furan-2-carboxylic acid;methanol
CID 70611195
methyl (3S,4R)-3-amino-4-(furan-2-yl)-1-methylpyrrolidine-3-carboxylate
CID 101485192
methyl (3S,4S)-3-amino-4-(furan-2-yl)-1-methylpyrrolidine-3-carboxylate
CID 101485189
aziridin-1-yl-[2-(furan-2-yl)cyclopropyl]methanone
CID 130606481
(4-chloro-1-methylpyrrol-2-yl)-[(2S)-2-(furan-2-yl)morpholin-4-yl]methanone
CID 124609210
(2,6-dimethylpyrimidin-4-yl)-[2-(furan-2-yl)morpholin-4-yl]methanone
CID 136530433
furan-2-carboxylic acid;methanamine
CID 82372767
2-(furan-2-yl)-N-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)cyclopropane-1-carboxamide
CID 86852022
1-[(2S)-2-(furan-2-yl)morpholine-4-carbonyl]cyclopropane-1-carboxylic acid
CID 124567918

Frequently Asked Questions

What is the IUPAC name of 3-(furan-2-yl)-1-methyl-2,3-dihydrofuro[2,3-b][1,4]oxazine-6-carboxylic acid?
The IUPAC name of 3-(furan-2-yl)-1-methyl-2,3-dihydrofuro[2,3-b][1,4]oxazine-6-carboxylic acid (CID 82376926) is 3-(furan-2-yl)-1-methyl-2,3-dihydrofuro[2,3-b][1,4]oxazine-6-carboxylic acid.
What is the SMILES notation for 3-(furan-2-yl)-1-methyl-2,3-dihydrofuro[2,3-b][1,4]oxazine-6-carboxylic acid?
The canonical SMILES for 3-(furan-2-yl)-1-methyl-2,3-dihydrofuro[2,3-b][1,4]oxazine-6-carboxylic acid is CN1CC(c2ccco2)Oc2oc(C(=O)O)cc21.
What is the InChIKey of 3-(furan-2-yl)-1-methyl-2,3-dihydrofuro[2,3-b][1,4]oxazine-6-carboxylic acid?
The InChIKey is CTMIUZXSLOPFPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11NO5/c1-13-6-10(8-3-2-4-16-8)18-12-7(13)5-9(17-12)11(14)15/h2-5,10H,6H2,1H3,(H,14,15).
What are the key properties of 3-(furan-2-yl)-1-methyl-2,3-dihydrofuro[2,3-b][1,4]oxazine-6-carboxylic acid?
3-(furan-2-yl)-1-methyl-2,3-dihydrofuro[2,3-b][1,4]oxazine-6-carboxylic acid has a molecular weight of 249.22 g/mol, XLogP of 2.14, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(furan-2-yl)-1-methyl-2,3-dihydrofuro[2,3-b][1,4]oxazine-6-carboxylic acid is sourced from PubChem (CID 82376926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).