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

C12H10N2O3 — CID 12909280

IUPACmethyl 4H-imidazo[2,1-c][1,4]benzoxazine-2-carboxylate
SMILESCOC(=O)c1cn2c(n1)COc1ccccc1-2
InChIInChI=1S/C12H10N2O3/c1-16-12(15)8-6-14-9-4-2-3-5-10(9)17-7-11(14)13-8/h2-6H,7H2,1H3
InChIKeyJNZHKHLCSPCGCO-UHFFFAOYSA-N
MW230.22 g/mol
LogP1.55
Rot. Bonds1

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

methyl 4H-imidazo[2,1-c][1,4]benzoxazine-2-carboxylate (PubChem CID 12909280) has the molecular formula C12H10N2O3 and a molecular weight of 230.22 g/mol. Its IUPAC name is methyl 4H-imidazo[2,1-c][1,4]benzoxazine-2-carboxylate.

Molecular Properties

Compound Namemethyl 4H-imidazo[2,1-c][1,4]benzoxazine-2-carboxylate
PubChem CID12909280
Molecular FormulaC12H10N2O3
Molecular Weight230.22 g/mol
Exact Mass230.07
IUPAC Namemethyl 4H-imidazo[2,1-c][1,4]benzoxazine-2-carboxylate
SMILESCOC(=O)c1cn2c(n1)COc1ccccc1-2
InChIInChI=1S/C12H10N2O3/c1-16-12(15)8-6-14-9-4-2-3-5-10(9)17-7-11(14)13-8/h2-6H,7H2,1H3
InChIKeyJNZHKHLCSPCGCO-UHFFFAOYSA-N
XLogP1.55
TPSA53.35 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.22
LogP ≤ 51.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 4H-imidazo[2,1-c][1,4]benzoxazine-2-carboxylate?
The IUPAC name of methyl 4H-imidazo[2,1-c][1,4]benzoxazine-2-carboxylate (CID 12909280) is methyl 4H-imidazo[2,1-c][1,4]benzoxazine-2-carboxylate.
What is the SMILES notation for methyl 4H-imidazo[2,1-c][1,4]benzoxazine-2-carboxylate?
The canonical SMILES for methyl 4H-imidazo[2,1-c][1,4]benzoxazine-2-carboxylate is COC(=O)c1cn2c(n1)COc1ccccc1-2.
What is the InChIKey of methyl 4H-imidazo[2,1-c][1,4]benzoxazine-2-carboxylate?
The InChIKey is JNZHKHLCSPCGCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N2O3/c1-16-12(15)8-6-14-9-4-2-3-5-10(9)17-7-11(14)13-8/h2-6H,7H2,1H3.
What are the key properties of methyl 4H-imidazo[2,1-c][1,4]benzoxazine-2-carboxylate?
methyl 4H-imidazo[2,1-c][1,4]benzoxazine-2-carboxylate has a molecular weight of 230.22 g/mol, XLogP of 1.55, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4H-imidazo[2,1-c][1,4]benzoxazine-2-carboxylate is sourced from PubChem (CID 12909280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).