ethyl 2-anilino-4-methyl-1,3-selenazole-5-carboxylate

C13H14N2O2Se — CID 135084017

IUPACethyl 2-anilino-4-methyl-1,3-selenazole-5-carboxylate
SMILESCCOC(=O)c1[se]c(Nc2ccccc2)nc1C
InChIInChI=1S/C13H14N2O2Se/c1-3-17-12(16)11-9(2)14-13(18-11)15-10-7-5-4-6-8-10/h4-8H,3H2,1-2H3,(H,14,15)
InChIKeyAHVARGGGLHUMMV-UHFFFAOYSA-N
MW309.23 g/mol
LogP2.37
Rot. Bonds4

About ethyl 2-anilino-4-methyl-1,3-selenazole-5-carboxylate

ethyl 2-anilino-4-methyl-1,3-selenazole-5-carboxylate (PubChem CID 135084017) has the molecular formula C13H14N2O2Se and a molecular weight of 309.23 g/mol. Its IUPAC name is ethyl 2-anilino-4-methyl-1,3-selenazole-5-carboxylate.

Molecular Properties

Compound Nameethyl 2-anilino-4-methyl-1,3-selenazole-5-carboxylate
PubChem CID135084017
Molecular FormulaC13H14N2O2Se
Molecular Weight309.23 g/mol
Exact Mass310.02
IUPAC Nameethyl 2-anilino-4-methyl-1,3-selenazole-5-carboxylate
SMILESCCOC(=O)c1[se]c(Nc2ccccc2)nc1C
InChIInChI=1S/C13H14N2O2Se/c1-3-17-12(16)11-9(2)14-13(18-11)15-10-7-5-4-6-8-10/h4-8H,3H2,1-2H3,(H,14,15)
InChIKeyAHVARGGGLHUMMV-UHFFFAOYSA-N
XLogP2.37
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.23
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

ethyl 4-anilino-2-chloro-6-methylpyrimidine-5-carboxylate
CID 89416676
ethyl 2-anilino-4-methyl-1,3-thiazole-5-carboxylate
CID 807772
ethane;ethyl 2-amino-4-anilino-6-methylpyrimidine-5-carboxylate
CID 144539371
diethyl oxalate;N-phenylaniline
CID 174415380
ethyl 2-anilino-1,3-thiazole-4-carboxylate
CID 15053537
ethyl 2-anilino-6-ethoxypyridine-3-carboxylate
CID 162752627
ethyl 4-[(4,6-diphenoxy-1,3,5-triazin-2-yl)amino]benzoate
CID 86729978
ethyl 2-anilino-5-methyl-6H-1,3-thiazine-4-carboxylate
CID 10754942
ethyl (E)-3-(2-anilino-1,3-thiazol-4-yl)prop-2-enoate
CID 15053530
ethyl 2-(3-bromo-4-hydroxyphenyl)-4-methyl-1,3-selenazole-5-carboxylate
CID 140693694
ethyl 1-anilinoisoquinoline-4-carboxylate
CID 46358338
ethyl 5-anilino-2-ethyl-1H-pyrrole-3-carboxylate
CID 86228816

Frequently Asked Questions

What is the IUPAC name of ethyl 2-anilino-4-methyl-1,3-selenazole-5-carboxylate?
The IUPAC name of ethyl 2-anilino-4-methyl-1,3-selenazole-5-carboxylate (CID 135084017) is ethyl 2-anilino-4-methyl-1,3-selenazole-5-carboxylate.
What is the SMILES notation for ethyl 2-anilino-4-methyl-1,3-selenazole-5-carboxylate?
The canonical SMILES for ethyl 2-anilino-4-methyl-1,3-selenazole-5-carboxylate is CCOC(=O)c1[se]c(Nc2ccccc2)nc1C.
What is the InChIKey of ethyl 2-anilino-4-methyl-1,3-selenazole-5-carboxylate?
The InChIKey is AHVARGGGLHUMMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O2Se/c1-3-17-12(16)11-9(2)14-13(18-11)15-10-7-5-4-6-8-10/h4-8H,3H2,1-2H3,(H,14,15).
What are the key properties of ethyl 2-anilino-4-methyl-1,3-selenazole-5-carboxylate?
ethyl 2-anilino-4-methyl-1,3-selenazole-5-carboxylate has a molecular weight of 309.23 g/mol, XLogP of 2.37, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-anilino-4-methyl-1,3-selenazole-5-carboxylate is sourced from PubChem (CID 135084017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).