diethyl 3-(2-phenylethyl)-1,2-oxazole-4,5-dicarboxylate

C17H19NO5 — CID 146164028

IUPACdiethyl 3-(2-phenylethyl)-1,2-oxazole-4,5-dicarboxylate
SMILESCCOC(=O)c1onc(CCc2ccccc2)c1C(=O)OCC
InChIInChI=1S/C17H19NO5/c1-3-21-16(19)14-13(11-10-12-8-6-5-7-9-12)18-23-15(14)17(20)22-4-2/h5-9H,3-4,10-11H2,1-2H3
InChIKeyNNCZAHHARMAKAD-UHFFFAOYSA-N
MW317.34 g/mol
LogP2.81
Rot. Bonds7

About diethyl 3-(2-phenylethyl)-1,2-oxazole-4,5-dicarboxylate

diethyl 3-(2-phenylethyl)-1,2-oxazole-4,5-dicarboxylate (PubChem CID 146164028) has the molecular formula C17H19NO5 and a molecular weight of 317.34 g/mol. Its IUPAC name is diethyl 3-(2-phenylethyl)-1,2-oxazole-4,5-dicarboxylate.

Molecular Properties

Compound Namediethyl 3-(2-phenylethyl)-1,2-oxazole-4,5-dicarboxylate
PubChem CID146164028
Molecular FormulaC17H19NO5
Molecular Weight317.34 g/mol
Exact Mass317.13
IUPAC Namediethyl 3-(2-phenylethyl)-1,2-oxazole-4,5-dicarboxylate
SMILESCCOC(=O)c1onc(CCc2ccccc2)c1C(=O)OCC
InChIInChI=1S/C17H19NO5/c1-3-21-16(19)14-13(11-10-12-8-6-5-7-9-12)18-23-15(14)17(20)22-4-2/h5-9H,3-4,10-11H2,1-2H3
InChIKeyNNCZAHHARMAKAD-UHFFFAOYSA-N
XLogP2.81
TPSA78.63 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.34
LogP ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

triethyl 5-(2-phenylethyl)furan-2,3,4-tricarboxylate
CID 15812358
ethyl 4-acetyl-5-(2-phenylethyl)-1,2-oxazole-3-carboxylate
CID 11033486
ethyl 5-(2-phenylethyl)-1,2-oxazole-3-carboxylate
CID 90326174
ethyl 3-methyl-4-phenyl-1,2-oxazole-5-carboxylate
CID 14957307
ethyl 3-(10-bromoanthracen-9-yl)-5-(2-phenylethyl)-1,2-oxazole-4-carboxylate
CID 13009940
ethyl 4,5-dimethyl-2-(methyliminomethylamino)-6-(2-phenylethyl)pyridine-3-carboxylate
CID 134870193
ethyl 5-(2-phenylethyl)-1,3,4-oxadiazole-2-carboxylate
CID 16767504
ethyl 5-methyl-3-propyl-1,2-oxazole-4-carboxylate
CID 66643541
ethyl 2,6-dimethylbenzoate
CID 520807
ethyl 3-oxo-5-(2-phenylethyl)-1,2-dihydropyrazole-4-carboxylate
CID 11129045
ethyl 3-benzoyl-5-methyl-1,2-oxazole-4-carboxylate
CID 102300604
ethyl 3-(methylcarbamoyl)-5-phenyl-1,2-oxazole-4-carboxylate
CID 57333911

Frequently Asked Questions

What is the IUPAC name of diethyl 3-(2-phenylethyl)-1,2-oxazole-4,5-dicarboxylate?
The IUPAC name of diethyl 3-(2-phenylethyl)-1,2-oxazole-4,5-dicarboxylate (CID 146164028) is diethyl 3-(2-phenylethyl)-1,2-oxazole-4,5-dicarboxylate.
What is the SMILES notation for diethyl 3-(2-phenylethyl)-1,2-oxazole-4,5-dicarboxylate?
The canonical SMILES for diethyl 3-(2-phenylethyl)-1,2-oxazole-4,5-dicarboxylate is CCOC(=O)c1onc(CCc2ccccc2)c1C(=O)OCC.
What is the InChIKey of diethyl 3-(2-phenylethyl)-1,2-oxazole-4,5-dicarboxylate?
The InChIKey is NNCZAHHARMAKAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO5/c1-3-21-16(19)14-13(11-10-12-8-6-5-7-9-12)18-23-15(14)17(20)22-4-2/h5-9H,3-4,10-11H2,1-2H3.
What are the key properties of diethyl 3-(2-phenylethyl)-1,2-oxazole-4,5-dicarboxylate?
diethyl 3-(2-phenylethyl)-1,2-oxazole-4,5-dicarboxylate has a molecular weight of 317.34 g/mol, XLogP of 2.81, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl 3-(2-phenylethyl)-1,2-oxazole-4,5-dicarboxylate is sourced from PubChem (CID 146164028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).