1-(hydroxymethyl)-4H-imidazo[2,1-c][1,4]benzoxazine-2-carboxylic acid

C12H10N2O4 — CID 14067393

IUPAC1-(hydroxymethyl)-4H-imidazo[2,1-c][1,4]benzoxazine-2-carboxylic acid
SMILESO=C(O)c1nc2n(c1CO)-c1ccccc1OC2
InChIInChI=1S/C12H10N2O4/c15-5-8-11(12(16)17)13-10-6-18-9-4-2-1-3-7(9)14(8)10/h1-4,15H,5-6H2,(H,16,17)
InChIKeyHWUHKAXTKVOAMN-UHFFFAOYSA-N
MW246.22 g/mol
LogP0.96
Rot. Bonds2

About 1-(hydroxymethyl)-4H-imidazo[2,1-c][1,4]benzoxazine-2-carboxylic acid

1-(hydroxymethyl)-4H-imidazo[2,1-c][1,4]benzoxazine-2-carboxylic acid (PubChem CID 14067393) has the molecular formula C12H10N2O4 and a molecular weight of 246.22 g/mol. Its IUPAC name is 1-(hydroxymethyl)-4H-imidazo[2,1-c][1,4]benzoxazine-2-carboxylic acid.

Molecular Properties

Compound Name1-(hydroxymethyl)-4H-imidazo[2,1-c][1,4]benzoxazine-2-carboxylic acid
PubChem CID14067393
Molecular FormulaC12H10N2O4
Molecular Weight246.22 g/mol
Exact Mass246.06
IUPAC Name1-(hydroxymethyl)-4H-imidazo[2,1-c][1,4]benzoxazine-2-carboxylic acid
SMILESO=C(O)c1nc2n(c1CO)-c1ccccc1OC2
InChIInChI=1S/C12H10N2O4/c15-5-8-11(12(16)17)13-10-6-18-9-4-2-1-3-7(9)14(8)10/h1-4,15H,5-6H2,(H,16,17)
InChIKeyHWUHKAXTKVOAMN-UHFFFAOYSA-N
XLogP0.96
TPSA84.58 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.22
LogP ≤ 50.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(hydroxymethyl)-4H-imidazo[2,1-c][1,4]benzoxazine-2-carboxylic acid?
The IUPAC name of 1-(hydroxymethyl)-4H-imidazo[2,1-c][1,4]benzoxazine-2-carboxylic acid (CID 14067393) is 1-(hydroxymethyl)-4H-imidazo[2,1-c][1,4]benzoxazine-2-carboxylic acid.
What is the SMILES notation for 1-(hydroxymethyl)-4H-imidazo[2,1-c][1,4]benzoxazine-2-carboxylic acid?
The canonical SMILES for 1-(hydroxymethyl)-4H-imidazo[2,1-c][1,4]benzoxazine-2-carboxylic acid is O=C(O)c1nc2n(c1CO)-c1ccccc1OC2.
What is the InChIKey of 1-(hydroxymethyl)-4H-imidazo[2,1-c][1,4]benzoxazine-2-carboxylic acid?
The InChIKey is HWUHKAXTKVOAMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N2O4/c15-5-8-11(12(16)17)13-10-6-18-9-4-2-1-3-7(9)14(8)10/h1-4,15H,5-6H2,(H,16,17).
What are the key properties of 1-(hydroxymethyl)-4H-imidazo[2,1-c][1,4]benzoxazine-2-carboxylic acid?
1-(hydroxymethyl)-4H-imidazo[2,1-c][1,4]benzoxazine-2-carboxylic acid has a molecular weight of 246.22 g/mol, XLogP of 0.96, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(hydroxymethyl)-4H-imidazo[2,1-c][1,4]benzoxazine-2-carboxylic acid is sourced from PubChem (CID 14067393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).