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

C13H13NO3 — CID 14957307

IUPACethyl 3-methyl-4-phenyl-1,2-oxazole-5-carboxylate
SMILESCCOC(=O)c1onc(C)c1-c1ccccc1
InChIInChI=1S/C13H13NO3/c1-3-16-13(15)12-11(9(2)14-17-12)10-7-5-4-6-8-10/h4-8H,3H2,1-2H3
InChIKeyGAHMGLBVOJJSTR-UHFFFAOYSA-N
MW231.25 g/mol
LogP2.83
Rot. Bonds3

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

ethyl 3-methyl-4-phenyl-1,2-oxazole-5-carboxylate (PubChem CID 14957307) has the molecular formula C13H13NO3 and a molecular weight of 231.25 g/mol. Its IUPAC name is ethyl 3-methyl-4-phenyl-1,2-oxazole-5-carboxylate.

Molecular Properties

Compound Nameethyl 3-methyl-4-phenyl-1,2-oxazole-5-carboxylate
PubChem CID14957307
Molecular FormulaC13H13NO3
Molecular Weight231.25 g/mol
Exact Mass231.09
IUPAC Nameethyl 3-methyl-4-phenyl-1,2-oxazole-5-carboxylate
SMILESCCOC(=O)c1onc(C)c1-c1ccccc1
InChIInChI=1S/C13H13NO3/c1-3-16-13(15)12-11(9(2)14-17-12)10-7-5-4-6-8-10/h4-8H,3H2,1-2H3
InChIKeyGAHMGLBVOJJSTR-UHFFFAOYSA-N
XLogP2.83
TPSA52.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.25
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl N-(3-methyl-4-phenyl-1,2-oxazol-5-yl)carbamate
CID 102517664
4-ethoxycarbonyl-3-methyl-1,2-oxazole-5-carboxylic acid
CID 15692965
N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-methyl-4-phenyl-1,2-oxazole-5-carboxamide
CID 147683869
triethyl 5-methyl-4-phenylpyridine-2,3,6-tricarboxylate
CID 14469073
diethyl 3-(2-phenylethyl)-1,2-oxazole-4,5-dicarboxylate
CID 146164028
1,1'-biphenyl;diethyl benzene-1,4-dicarboxylate
CID 174703430
ethyl 3-(4-methylphenyl)-4-(4-nitrophenyl)-1,2-oxazole-5-carboxylate
CID 102360140
ethyl 3-(methylcarbamoyl)-5-phenyl-1,2-oxazole-4-carboxylate
CID 57333911
N-(3-methyl-4-phenyl-1,2-oxazol-5-yl)acetamide
CID 14174108
ethyl 3-phenyl-1,2-oxazole-4-carboxylate
CID 871048
diethyl 2,6-dimethyl-4-[3-methyl-5-[2-(4-phenylphenyl)ethyl]-1,2-oxazol-4-yl]-1,4-dihydropyridine-3,5-dicarboxylate
CID 11799979
ethyl 2,5-dimethyl-3,4-diphenylbenzoate
CID 102473305

Frequently Asked Questions

What is the IUPAC name of ethyl 3-methyl-4-phenyl-1,2-oxazole-5-carboxylate?
The IUPAC name of ethyl 3-methyl-4-phenyl-1,2-oxazole-5-carboxylate (CID 14957307) is ethyl 3-methyl-4-phenyl-1,2-oxazole-5-carboxylate.
What is the SMILES notation for ethyl 3-methyl-4-phenyl-1,2-oxazole-5-carboxylate?
The canonical SMILES for ethyl 3-methyl-4-phenyl-1,2-oxazole-5-carboxylate is CCOC(=O)c1onc(C)c1-c1ccccc1.
What is the InChIKey of ethyl 3-methyl-4-phenyl-1,2-oxazole-5-carboxylate?
The InChIKey is GAHMGLBVOJJSTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13NO3/c1-3-16-13(15)12-11(9(2)14-17-12)10-7-5-4-6-8-10/h4-8H,3H2,1-2H3.
What are the key properties of ethyl 3-methyl-4-phenyl-1,2-oxazole-5-carboxylate?
ethyl 3-methyl-4-phenyl-1,2-oxazole-5-carboxylate has a molecular weight of 231.25 g/mol, XLogP of 2.83, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-methyl-4-phenyl-1,2-oxazole-5-carboxylate is sourced from PubChem (CID 14957307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).