4H-imidazo[5,1-c][1,4]benzoxazine-3-carboxylic acid

C11H8N2O3 — CID 71695404

IUPAC4H-imidazo[5,1-c][1,4]benzoxazine-3-carboxylic acid
SMILESO=C(O)c1ncn2c1COc1ccccc1-2
InChIInChI=1S/C11H8N2O3/c14-11(15)10-8-5-16-9-4-2-1-3-7(9)13(8)6-12-10/h1-4,6H,5H2,(H,14,15)
InChIKeyWYZNXVXSPMXJFX-UHFFFAOYSA-N
MW216.20 g/mol
LogP1.46
Rot. Bonds1

About 4H-imidazo[5,1-c][1,4]benzoxazine-3-carboxylic acid

4H-imidazo[5,1-c][1,4]benzoxazine-3-carboxylic acid (PubChem CID 71695404) has the molecular formula C11H8N2O3 and a molecular weight of 216.20 g/mol. Its IUPAC name is 4H-imidazo[5,1-c][1,4]benzoxazine-3-carboxylic acid.

Molecular Properties

Compound Name4H-imidazo[5,1-c][1,4]benzoxazine-3-carboxylic acid
PubChem CID71695404
Molecular FormulaC11H8N2O3
Molecular Weight216.20 g/mol
Exact Mass216.05
IUPAC Name4H-imidazo[5,1-c][1,4]benzoxazine-3-carboxylic acid
SMILESO=C(O)c1ncn2c1COc1ccccc1-2
InChIInChI=1S/C11H8N2O3/c14-11(15)10-8-5-16-9-4-2-1-3-7(9)13(8)6-12-10/h1-4,6H,5H2,(H,14,15)
InChIKeyWYZNXVXSPMXJFX-UHFFFAOYSA-N
XLogP1.46
TPSA64.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.20
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4H-imidazo[5,1-c][1,4]benzoxazine-3-carboxylic acid?
The IUPAC name of 4H-imidazo[5,1-c][1,4]benzoxazine-3-carboxylic acid (CID 71695404) is 4H-imidazo[5,1-c][1,4]benzoxazine-3-carboxylic acid.
What is the SMILES notation for 4H-imidazo[5,1-c][1,4]benzoxazine-3-carboxylic acid?
The canonical SMILES for 4H-imidazo[5,1-c][1,4]benzoxazine-3-carboxylic acid is O=C(O)c1ncn2c1COc1ccccc1-2.
What is the InChIKey of 4H-imidazo[5,1-c][1,4]benzoxazine-3-carboxylic acid?
The InChIKey is WYZNXVXSPMXJFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8N2O3/c14-11(15)10-8-5-16-9-4-2-1-3-7(9)13(8)6-12-10/h1-4,6H,5H2,(H,14,15).
What are the key properties of 4H-imidazo[5,1-c][1,4]benzoxazine-3-carboxylic acid?
4H-imidazo[5,1-c][1,4]benzoxazine-3-carboxylic acid has a molecular weight of 216.20 g/mol, XLogP of 1.46, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4H-imidazo[5,1-c][1,4]benzoxazine-3-carboxylic acid is sourced from PubChem (CID 71695404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).