4H-imidazo[2,1-c][1,4]benzoxazine-1,2-dicarboxylic acid

C12H8N2O5 — CID 12909282

IUPAC4H-imidazo[2,1-c][1,4]benzoxazine-1,2-dicarboxylic acid
SMILESO=C(O)c1nc2n(c1C(=O)O)-c1ccccc1OC2
InChIInChI=1S/C12H8N2O5/c15-11(16)9-10(12(17)18)14-6-3-1-2-4-7(6)19-5-8(14)13-9/h1-4H,5H2,(H,15,16)(H,17,18)
InChIKeyWJFJLYKLNDXITO-UHFFFAOYSA-N
MW260.20 g/mol
LogP1.16
Rot. Bonds2

About 4H-imidazo[2,1-c][1,4]benzoxazine-1,2-dicarboxylic acid

4H-imidazo[2,1-c][1,4]benzoxazine-1,2-dicarboxylic acid (PubChem CID 12909282) has the molecular formula C12H8N2O5 and a molecular weight of 260.20 g/mol. Its IUPAC name is 4H-imidazo[2,1-c][1,4]benzoxazine-1,2-dicarboxylic acid.

Molecular Properties

Compound Name4H-imidazo[2,1-c][1,4]benzoxazine-1,2-dicarboxylic acid
PubChem CID12909282
Molecular FormulaC12H8N2O5
Molecular Weight260.20 g/mol
Exact Mass260.04
IUPAC Name4H-imidazo[2,1-c][1,4]benzoxazine-1,2-dicarboxylic acid
SMILESO=C(O)c1nc2n(c1C(=O)O)-c1ccccc1OC2
InChIInChI=1S/C12H8N2O5/c15-11(16)9-10(12(17)18)14-6-3-1-2-4-7(6)19-5-8(14)13-9/h1-4H,5H2,(H,15,16)(H,17,18)
InChIKeyWJFJLYKLNDXITO-UHFFFAOYSA-N
XLogP1.16
TPSA101.65 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.20
LogP ≤ 51.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4H-imidazo[2,1-c][1,4]benzoxazine-1,2-dicarboxylic acid?
The IUPAC name of 4H-imidazo[2,1-c][1,4]benzoxazine-1,2-dicarboxylic acid (CID 12909282) is 4H-imidazo[2,1-c][1,4]benzoxazine-1,2-dicarboxylic acid.
What is the SMILES notation for 4H-imidazo[2,1-c][1,4]benzoxazine-1,2-dicarboxylic acid?
The canonical SMILES for 4H-imidazo[2,1-c][1,4]benzoxazine-1,2-dicarboxylic acid is O=C(O)c1nc2n(c1C(=O)O)-c1ccccc1OC2.
What is the InChIKey of 4H-imidazo[2,1-c][1,4]benzoxazine-1,2-dicarboxylic acid?
The InChIKey is WJFJLYKLNDXITO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8N2O5/c15-11(16)9-10(12(17)18)14-6-3-1-2-4-7(6)19-5-8(14)13-9/h1-4H,5H2,(H,15,16)(H,17,18).
What are the key properties of 4H-imidazo[2,1-c][1,4]benzoxazine-1,2-dicarboxylic acid?
4H-imidazo[2,1-c][1,4]benzoxazine-1,2-dicarboxylic acid has a molecular weight of 260.20 g/mol, XLogP of 1.16, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4H-imidazo[2,1-c][1,4]benzoxazine-1,2-dicarboxylic acid is sourced from PubChem (CID 12909282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).