ethyl 3-benzoyl-5-methyl-1,2-oxazole-4-carboxylate

C14H13NO4 — CID 102300604

IUPACethyl 3-benzoyl-5-methyl-1,2-oxazole-4-carboxylate
SMILESCCOC(=O)c1c(C(=O)c2ccccc2)noc1C
InChIInChI=1S/C14H13NO4/c1-3-18-14(17)11-9(2)19-15-12(11)13(16)10-7-5-4-6-8-10/h4-8H,3H2,1-2H3
InChIKeyRJGAWDZJIJBNER-UHFFFAOYSA-N
MW259.26 g/mol
LogP2.39
Rot. Bonds4

About ethyl 3-benzoyl-5-methyl-1,2-oxazole-4-carboxylate

ethyl 3-benzoyl-5-methyl-1,2-oxazole-4-carboxylate (PubChem CID 102300604) has the molecular formula C14H13NO4 and a molecular weight of 259.26 g/mol. Its IUPAC name is ethyl 3-benzoyl-5-methyl-1,2-oxazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 3-benzoyl-5-methyl-1,2-oxazole-4-carboxylate
PubChem CID102300604
Molecular FormulaC14H13NO4
Molecular Weight259.26 g/mol
Exact Mass259.08
IUPAC Nameethyl 3-benzoyl-5-methyl-1,2-oxazole-4-carboxylate
SMILESCCOC(=O)c1c(C(=O)c2ccccc2)noc1C
InChIInChI=1S/C14H13NO4/c1-3-18-14(17)11-9(2)19-15-12(11)13(16)10-7-5-4-6-8-10/h4-8H,3H2,1-2H3
InChIKeyRJGAWDZJIJBNER-UHFFFAOYSA-N
XLogP2.39
TPSA69.40 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.26
LogP ≤ 52.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 3-benzoyl-5-methyl-1,2-oxazole-4-carboxylate?
The IUPAC name of ethyl 3-benzoyl-5-methyl-1,2-oxazole-4-carboxylate (CID 102300604) is ethyl 3-benzoyl-5-methyl-1,2-oxazole-4-carboxylate.
What is the SMILES notation for ethyl 3-benzoyl-5-methyl-1,2-oxazole-4-carboxylate?
The canonical SMILES for ethyl 3-benzoyl-5-methyl-1,2-oxazole-4-carboxylate is CCOC(=O)c1c(C(=O)c2ccccc2)noc1C.
What is the InChIKey of ethyl 3-benzoyl-5-methyl-1,2-oxazole-4-carboxylate?
The InChIKey is RJGAWDZJIJBNER-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13NO4/c1-3-18-14(17)11-9(2)19-15-12(11)13(16)10-7-5-4-6-8-10/h4-8H,3H2,1-2H3.
What are the key properties of ethyl 3-benzoyl-5-methyl-1,2-oxazole-4-carboxylate?
ethyl 3-benzoyl-5-methyl-1,2-oxazole-4-carboxylate has a molecular weight of 259.26 g/mol, XLogP of 2.39, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-benzoyl-5-methyl-1,2-oxazole-4-carboxylate is sourced from PubChem (CID 102300604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).