2-(furan-2-yl)-3,4-dihydro-2H-thieno[3,4-b][1,4]oxazine-7-carboxylic acid

C11H9NO4S — CID 82376553

IUPAC2-(furan-2-yl)-3,4-dihydro-2H-thieno[3,4-b][1,4]oxazine-7-carboxylic acid
SMILESO=C(O)c1scc2c1OC(c1ccco1)CN2
InChIInChI=1S/C11H9NO4S/c13-11(14)10-9-6(5-17-10)12-4-8(16-9)7-2-1-3-15-7/h1-3,5,8,12H,4H2,(H,13,14)
InChIKeyOSAMVWOCURXUGG-UHFFFAOYSA-N
MW251.26 g/mol
LogP2.58
Rot. Bonds2

About 2-(furan-2-yl)-3,4-dihydro-2H-thieno[3,4-b][1,4]oxazine-7-carboxylic acid

2-(furan-2-yl)-3,4-dihydro-2H-thieno[3,4-b][1,4]oxazine-7-carboxylic acid (PubChem CID 82376553) has the molecular formula C11H9NO4S and a molecular weight of 251.26 g/mol. Its IUPAC name is 2-(furan-2-yl)-3,4-dihydro-2H-thieno[3,4-b][1,4]oxazine-7-carboxylic acid.

Molecular Properties

Compound Name2-(furan-2-yl)-3,4-dihydro-2H-thieno[3,4-b][1,4]oxazine-7-carboxylic acid
PubChem CID82376553
Molecular FormulaC11H9NO4S
Molecular Weight251.26 g/mol
Exact Mass251.03
IUPAC Name2-(furan-2-yl)-3,4-dihydro-2H-thieno[3,4-b][1,4]oxazine-7-carboxylic acid
SMILESO=C(O)c1scc2c1OC(c1ccco1)CN2
InChIInChI=1S/C11H9NO4S/c13-11(14)10-9-6(5-17-10)12-4-8(16-9)7-2-1-3-15-7/h1-3,5,8,12H,4H2,(H,13,14)
InChIKeyOSAMVWOCURXUGG-UHFFFAOYSA-N
XLogP2.58
TPSA71.70 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.26
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(furan-2-yl)-3,4-dihydro-2H-thieno[3,4-b][1,4]oxazine-7-carboxylic acid?
The IUPAC name of 2-(furan-2-yl)-3,4-dihydro-2H-thieno[3,4-b][1,4]oxazine-7-carboxylic acid (CID 82376553) is 2-(furan-2-yl)-3,4-dihydro-2H-thieno[3,4-b][1,4]oxazine-7-carboxylic acid.
What is the SMILES notation for 2-(furan-2-yl)-3,4-dihydro-2H-thieno[3,4-b][1,4]oxazine-7-carboxylic acid?
The canonical SMILES for 2-(furan-2-yl)-3,4-dihydro-2H-thieno[3,4-b][1,4]oxazine-7-carboxylic acid is O=C(O)c1scc2c1OC(c1ccco1)CN2.
What is the InChIKey of 2-(furan-2-yl)-3,4-dihydro-2H-thieno[3,4-b][1,4]oxazine-7-carboxylic acid?
The InChIKey is OSAMVWOCURXUGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9NO4S/c13-11(14)10-9-6(5-17-10)12-4-8(16-9)7-2-1-3-15-7/h1-3,5,8,12H,4H2,(H,13,14).
What are the key properties of 2-(furan-2-yl)-3,4-dihydro-2H-thieno[3,4-b][1,4]oxazine-7-carboxylic acid?
2-(furan-2-yl)-3,4-dihydro-2H-thieno[3,4-b][1,4]oxazine-7-carboxylic acid has a molecular weight of 251.26 g/mol, XLogP of 2.58, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(furan-2-yl)-3,4-dihydro-2H-thieno[3,4-b][1,4]oxazine-7-carboxylic acid is sourced from PubChem (CID 82376553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).