ethyl 3-benzoyl-2-phenyl-3H-1,2-oxazole-4-carboxylate

C19H17NO4 — CID 612638

IUPACethyl 3-benzoyl-2-phenyl-3H-1,2-oxazole-4-carboxylate
SMILESCCOC(=O)C1=CON(c2ccccc2)C1C(=O)c1ccccc1
InChIInChI=1S/C19H17NO4/c1-2-23-19(22)16-13-24-20(15-11-7-4-8-12-15)17(16)18(21)14-9-5-3-6-10-14/h3-13,17H,2H2,1H3
InChIKeyWWHUDFQXFYAULZ-UHFFFAOYSA-N
MW323.35 g/mol
LogP3.14
Rot. Bonds5

About ethyl 3-benzoyl-2-phenyl-3H-1,2-oxazole-4-carboxylate

ethyl 3-benzoyl-2-phenyl-3H-1,2-oxazole-4-carboxylate (PubChem CID 612638) has the molecular formula C19H17NO4 and a molecular weight of 323.35 g/mol. Its IUPAC name is ethyl 3-benzoyl-2-phenyl-3H-1,2-oxazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 3-benzoyl-2-phenyl-3H-1,2-oxazole-4-carboxylate
PubChem CID612638
Molecular FormulaC19H17NO4
Molecular Weight323.35 g/mol
Exact Mass323.12
IUPAC Nameethyl 3-benzoyl-2-phenyl-3H-1,2-oxazole-4-carboxylate
SMILESCCOC(=O)C1=CON(c2ccccc2)C1C(=O)c1ccccc1
InChIInChI=1S/C19H17NO4/c1-2-23-19(22)16-13-24-20(15-11-7-4-8-12-15)17(16)18(21)14-9-5-3-6-10-14/h3-13,17H,2H2,1H3
InChIKeyWWHUDFQXFYAULZ-UHFFFAOYSA-N
XLogP3.14
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.35
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

diethyl 3,4-dihydroxy-1-phenylpyrrole-2,5-dicarboxylate
CID 2801528
ethyl 2-benzoyl-3,4-diphenyl-2H-1,3-oxazole-5-carboxylate
CID 626287
CID 158970570
CID 158970570
methyl 2,3-diphenyl-3H-1,2-oxazole-4-carboxylate
CID 613667
chloroethane;ethyl benzoate
CID 91175503
ethyl benzoate;toluene
CID 23150750
diethyl 4-(4-fluorophenyl)-1-phenyl-4H-pyridine-3,5-dicarboxylate
CID 2233361
diethyl (2S,5R)-1,2,5-triphenyl-2,5-dihydropyrrole-3,4-dicarboxylate
CID 92534220
diethyl 3-hydroxy-1-phenylpyrrole-2,4-dicarboxylate
CID 71370863
ethyl benzoate;phthalic acid
CID 159584831
ethyl benzoate;sulfuryl dichloride
CID 159512060
ethyl 2-benzoylcyclopropane-1-carboxylate
CID 15568394

Frequently Asked Questions

What is the IUPAC name of ethyl 3-benzoyl-2-phenyl-3H-1,2-oxazole-4-carboxylate?
The IUPAC name of ethyl 3-benzoyl-2-phenyl-3H-1,2-oxazole-4-carboxylate (CID 612638) is ethyl 3-benzoyl-2-phenyl-3H-1,2-oxazole-4-carboxylate.
What is the SMILES notation for ethyl 3-benzoyl-2-phenyl-3H-1,2-oxazole-4-carboxylate?
The canonical SMILES for ethyl 3-benzoyl-2-phenyl-3H-1,2-oxazole-4-carboxylate is CCOC(=O)C1=CON(c2ccccc2)C1C(=O)c1ccccc1.
What is the InChIKey of ethyl 3-benzoyl-2-phenyl-3H-1,2-oxazole-4-carboxylate?
The InChIKey is WWHUDFQXFYAULZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17NO4/c1-2-23-19(22)16-13-24-20(15-11-7-4-8-12-15)17(16)18(21)14-9-5-3-6-10-14/h3-13,17H,2H2,1H3.
What are the key properties of ethyl 3-benzoyl-2-phenyl-3H-1,2-oxazole-4-carboxylate?
ethyl 3-benzoyl-2-phenyl-3H-1,2-oxazole-4-carboxylate has a molecular weight of 323.35 g/mol, XLogP of 3.14, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-benzoyl-2-phenyl-3H-1,2-oxazole-4-carboxylate is sourced from PubChem (CID 612638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).