methyl 1-(hydroxymethyl)-4H-imidazo[2,1-c][1,4]benzoxazine-2-carboxylate

C13H12N2O4 — CID 14067392

IUPACmethyl 1-(hydroxymethyl)-4H-imidazo[2,1-c][1,4]benzoxazine-2-carboxylate
SMILESCOC(=O)c1nc2n(c1CO)-c1ccccc1OC2
InChIInChI=1S/C13H12N2O4/c1-18-13(17)12-9(6-16)15-8-4-2-3-5-10(8)19-7-11(15)14-12/h2-5,16H,6-7H2,1H3
InChIKeyZXSQWULFIIQSCM-UHFFFAOYSA-N
MW260.25 g/mol
LogP1.04
Rot. Bonds2

About methyl 1-(hydroxymethyl)-4H-imidazo[2,1-c][1,4]benzoxazine-2-carboxylate

methyl 1-(hydroxymethyl)-4H-imidazo[2,1-c][1,4]benzoxazine-2-carboxylate (PubChem CID 14067392) has the molecular formula C13H12N2O4 and a molecular weight of 260.25 g/mol. Its IUPAC name is methyl 1-(hydroxymethyl)-4H-imidazo[2,1-c][1,4]benzoxazine-2-carboxylate.

Molecular Properties

Compound Namemethyl 1-(hydroxymethyl)-4H-imidazo[2,1-c][1,4]benzoxazine-2-carboxylate
PubChem CID14067392
Molecular FormulaC13H12N2O4
Molecular Weight260.25 g/mol
Exact Mass260.08
IUPAC Namemethyl 1-(hydroxymethyl)-4H-imidazo[2,1-c][1,4]benzoxazine-2-carboxylate
SMILESCOC(=O)c1nc2n(c1CO)-c1ccccc1OC2
InChIInChI=1S/C13H12N2O4/c1-18-13(17)12-9(6-16)15-8-4-2-3-5-10(8)19-7-11(15)14-12/h2-5,16H,6-7H2,1H3
InChIKeyZXSQWULFIIQSCM-UHFFFAOYSA-N
XLogP1.04
TPSA73.58 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.25
LogP ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 1-(hydroxymethyl)-4H-imidazo[2,1-c][1,4]benzoxazine-2-carboxylate?
The IUPAC name of methyl 1-(hydroxymethyl)-4H-imidazo[2,1-c][1,4]benzoxazine-2-carboxylate (CID 14067392) is methyl 1-(hydroxymethyl)-4H-imidazo[2,1-c][1,4]benzoxazine-2-carboxylate.
What is the SMILES notation for methyl 1-(hydroxymethyl)-4H-imidazo[2,1-c][1,4]benzoxazine-2-carboxylate?
The canonical SMILES for methyl 1-(hydroxymethyl)-4H-imidazo[2,1-c][1,4]benzoxazine-2-carboxylate is COC(=O)c1nc2n(c1CO)-c1ccccc1OC2.
What is the InChIKey of methyl 1-(hydroxymethyl)-4H-imidazo[2,1-c][1,4]benzoxazine-2-carboxylate?
The InChIKey is ZXSQWULFIIQSCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2O4/c1-18-13(17)12-9(6-16)15-8-4-2-3-5-10(8)19-7-11(15)14-12/h2-5,16H,6-7H2,1H3.
What are the key properties of methyl 1-(hydroxymethyl)-4H-imidazo[2,1-c][1,4]benzoxazine-2-carboxylate?
methyl 1-(hydroxymethyl)-4H-imidazo[2,1-c][1,4]benzoxazine-2-carboxylate has a molecular weight of 260.25 g/mol, XLogP of 1.04, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-(hydroxymethyl)-4H-imidazo[2,1-c][1,4]benzoxazine-2-carboxylate is sourced from PubChem (CID 14067392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).