methyl 8-acetamido-4H-imidazo[2,1-c][1,4]benzoxazine-2-carboxylate

C14H13N3O4 — CID 12909300

IUPACmethyl 8-acetamido-4H-imidazo[2,1-c][1,4]benzoxazine-2-carboxylate
SMILESCOC(=O)c1cn2c(n1)COc1ccc(NC(C)=O)cc1-2
InChIInChI=1S/C14H13N3O4/c1-8(18)15-9-3-4-12-11(5-9)17-6-10(14(19)20-2)16-13(17)7-21-12/h3-6H,7H2,1-2H3,(H,15,18)
InChIKeyXEPYHDBVCHGKSU-UHFFFAOYSA-N
MW287.28 g/mol
LogP1.51
Rot. Bonds2

About methyl 8-acetamido-4H-imidazo[2,1-c][1,4]benzoxazine-2-carboxylate

methyl 8-acetamido-4H-imidazo[2,1-c][1,4]benzoxazine-2-carboxylate (PubChem CID 12909300) has the molecular formula C14H13N3O4 and a molecular weight of 287.28 g/mol. Its IUPAC name is methyl 8-acetamido-4H-imidazo[2,1-c][1,4]benzoxazine-2-carboxylate.

Molecular Properties

Compound Namemethyl 8-acetamido-4H-imidazo[2,1-c][1,4]benzoxazine-2-carboxylate
PubChem CID12909300
Molecular FormulaC14H13N3O4
Molecular Weight287.28 g/mol
Exact Mass287.09
IUPAC Namemethyl 8-acetamido-4H-imidazo[2,1-c][1,4]benzoxazine-2-carboxylate
SMILESCOC(=O)c1cn2c(n1)COc1ccc(NC(C)=O)cc1-2
InChIInChI=1S/C14H13N3O4/c1-8(18)15-9-3-4-12-11(5-9)17-6-10(14(19)20-2)16-13(17)7-21-12/h3-6H,7H2,1-2H3,(H,15,18)
InChIKeyXEPYHDBVCHGKSU-UHFFFAOYSA-N
XLogP1.51
TPSA82.45 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.28
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 8-acetamido-4H-imidazo[2,1-c][1,4]benzoxazine-2-carboxylate?
The IUPAC name of methyl 8-acetamido-4H-imidazo[2,1-c][1,4]benzoxazine-2-carboxylate (CID 12909300) is methyl 8-acetamido-4H-imidazo[2,1-c][1,4]benzoxazine-2-carboxylate.
What is the SMILES notation for methyl 8-acetamido-4H-imidazo[2,1-c][1,4]benzoxazine-2-carboxylate?
The canonical SMILES for methyl 8-acetamido-4H-imidazo[2,1-c][1,4]benzoxazine-2-carboxylate is COC(=O)c1cn2c(n1)COc1ccc(NC(C)=O)cc1-2.
What is the InChIKey of methyl 8-acetamido-4H-imidazo[2,1-c][1,4]benzoxazine-2-carboxylate?
The InChIKey is XEPYHDBVCHGKSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3O4/c1-8(18)15-9-3-4-12-11(5-9)17-6-10(14(19)20-2)16-13(17)7-21-12/h3-6H,7H2,1-2H3,(H,15,18).
What are the key properties of methyl 8-acetamido-4H-imidazo[2,1-c][1,4]benzoxazine-2-carboxylate?
methyl 8-acetamido-4H-imidazo[2,1-c][1,4]benzoxazine-2-carboxylate has a molecular weight of 287.28 g/mol, XLogP of 1.51, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 8-acetamido-4H-imidazo[2,1-c][1,4]benzoxazine-2-carboxylate is sourced from PubChem (CID 12909300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).