ethyl 3-benzoyl-5-ethyl-2H-1,2-oxazole-5-carboxylate

C15H17NO4 — CID 91316572

IUPACethyl 3-benzoyl-5-ethyl-2H-1,2-oxazole-5-carboxylate
SMILESCCOC(=O)C1(CC)C=C(C(=O)c2ccccc2)NO1
InChIInChI=1S/C15H17NO4/c1-3-15(14(18)19-4-2)10-12(16-20-15)13(17)11-8-6-5-7-9-11/h5-10,16H,3-4H2,1-2H3
InChIKeySZGNEXAQXWRNLJ-UHFFFAOYSA-N
MW275.30 g/mol
LogP2.00
Rot. Bonds5

About ethyl 3-benzoyl-5-ethyl-2H-1,2-oxazole-5-carboxylate

ethyl 3-benzoyl-5-ethyl-2H-1,2-oxazole-5-carboxylate (PubChem CID 91316572) has the molecular formula C15H17NO4 and a molecular weight of 275.30 g/mol. Its IUPAC name is ethyl 3-benzoyl-5-ethyl-2H-1,2-oxazole-5-carboxylate.

Molecular Properties

Compound Nameethyl 3-benzoyl-5-ethyl-2H-1,2-oxazole-5-carboxylate
PubChem CID91316572
Molecular FormulaC15H17NO4
Molecular Weight275.30 g/mol
Exact Mass275.12
IUPAC Nameethyl 3-benzoyl-5-ethyl-2H-1,2-oxazole-5-carboxylate
SMILESCCOC(=O)C1(CC)C=C(C(=O)c2ccccc2)NO1
InChIInChI=1S/C15H17NO4/c1-3-15(14(18)19-4-2)10-12(16-20-15)13(17)11-8-6-5-7-9-11/h5-10,16H,3-4H2,1-2H3
InChIKeySZGNEXAQXWRNLJ-UHFFFAOYSA-N
XLogP2.00
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.30
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

Benzoylisoxazol-5-one
CID 129777087
Ethyl [(3-oxo-3-phenylprop-1-en-2-yl)amino] carbonate
CID 57001512
[(3-Oxo-3-phenylprop-1-en-2-yl)amino] acetate
CID 57005689
Tert-butyl 3-(4-formylphenyl)-2,5-dihydro-1,2-oxazole-5-carboxylate
CID 57117046
Ethyl 3-(4-formylphenyl)-2,5-dihydro-1,2-oxazole-5-carboxylate
CID 57237777
(E)-3-amino-2-ethoxy-4-oxo-4-phenylbut-2-enoic acid
CID 87956498
[(1-Oxo-1-phenylbutan-2-yl)amino] 2-methoxy-2-methylpropanoate
CID 88591580
Tert-butyl 2-methyl-2-[[2-(4-methylphenyl)-2-oxoacetyl]amino]oxypropanoate
CID 89503943
ethyl 5-ethyl-3-(naphthalene-1-carbonyl)-2H-1,2-oxazole-5-carboxylate
CID 91221494
ethyl 5-ethyl-3-phenyl-2H-1,2-oxazole-5-carboxylate
CID 91248647
Tert-butyl 2-[(3,4-dioxonaphthalen-2-yl)amino]oxyacetate
CID 142672629

Frequently Asked Questions

What is the IUPAC name of ethyl 3-benzoyl-5-ethyl-2H-1,2-oxazole-5-carboxylate?
The IUPAC name of ethyl 3-benzoyl-5-ethyl-2H-1,2-oxazole-5-carboxylate (CID 91316572) is ethyl 3-benzoyl-5-ethyl-2H-1,2-oxazole-5-carboxylate.
What is the SMILES notation for ethyl 3-benzoyl-5-ethyl-2H-1,2-oxazole-5-carboxylate?
The canonical SMILES for ethyl 3-benzoyl-5-ethyl-2H-1,2-oxazole-5-carboxylate is CCOC(=O)C1(CC)C=C(C(=O)c2ccccc2)NO1.
What is the InChIKey of ethyl 3-benzoyl-5-ethyl-2H-1,2-oxazole-5-carboxylate?
The InChIKey is SZGNEXAQXWRNLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO4/c1-3-15(14(18)19-4-2)10-12(16-20-15)13(17)11-8-6-5-7-9-11/h5-10,16H,3-4H2,1-2H3.
What are the key properties of ethyl 3-benzoyl-5-ethyl-2H-1,2-oxazole-5-carboxylate?
ethyl 3-benzoyl-5-ethyl-2H-1,2-oxazole-5-carboxylate has a molecular weight of 275.30 g/mol, XLogP of 2.00, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-benzoyl-5-ethyl-2H-1,2-oxazole-5-carboxylate is sourced from PubChem (CID 91316572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).