ethyl 4-phenyl-5-(2-phenylethyl)-1,3-oxazole-2-carboxylate

C20H19NO3 — CID 143259904

IUPACethyl 4-phenyl-5-(2-phenylethyl)-1,3-oxazole-2-carboxylate
SMILESCCOC(=O)c1nc(-c2ccccc2)c(CCc2ccccc2)o1
InChIInChI=1S/C20H19NO3/c1-2-23-20(22)19-21-18(16-11-7-4-8-12-16)17(24-19)14-13-15-9-5-3-6-10-15/h3-12H,2,13-14H2,1H3
InChIKeyXYSNXVJCVSNWQW-UHFFFAOYSA-N
MW321.38 g/mol
LogP4.30
Rot. Bonds6

About ethyl 4-phenyl-5-(2-phenylethyl)-1,3-oxazole-2-carboxylate

ethyl 4-phenyl-5-(2-phenylethyl)-1,3-oxazole-2-carboxylate (PubChem CID 143259904) has the molecular formula C20H19NO3 and a molecular weight of 321.38 g/mol. Its IUPAC name is ethyl 4-phenyl-5-(2-phenylethyl)-1,3-oxazole-2-carboxylate.

Molecular Properties

Compound Nameethyl 4-phenyl-5-(2-phenylethyl)-1,3-oxazole-2-carboxylate
PubChem CID143259904
Molecular FormulaC20H19NO3
Molecular Weight321.38 g/mol
Exact Mass321.14
IUPAC Nameethyl 4-phenyl-5-(2-phenylethyl)-1,3-oxazole-2-carboxylate
SMILESCCOC(=O)c1nc(-c2ccccc2)c(CCc2ccccc2)o1
InChIInChI=1S/C20H19NO3/c1-2-23-20(22)19-21-18(16-11-7-4-8-12-16)17(24-19)14-13-15-9-5-3-6-10-15/h3-12H,2,13-14H2,1H3
InChIKeyXYSNXVJCVSNWQW-UHFFFAOYSA-N
XLogP4.30
TPSA52.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.38
LogP ≤ 54.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 5-(2-phenylethyl)-1,3,4-oxadiazole-2-carboxylate
CID 16767504
triethyl 5-(2-phenylethyl)furan-2,3,4-tricarboxylate
CID 15812358
methyl 2-methyl-5-(2-phenylethyl)-1,3-oxazole-4-carboxylate
CID 21494568
ethyl 4-acetyl-5-(2-phenylethyl)-1,2-oxazole-3-carboxylate
CID 11033486
ethyl 3-(10-bromoanthracen-9-yl)-5-(2-phenylethyl)-1,2-oxazole-4-carboxylate
CID 13009940
ethyl 5-(3-phenylpropylsulfanyl)-1,3,4-oxadiazole-2-carboxylate
CID 116699772
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 5-(2-phenylethyl)-1,2-oxazole-3-carboxylate
CID 90326174
benzyl 4,5-dimethyl-1,3-oxazole-2-carboxylate
CID 134511513
ethyl 3-phenyl-1,2-oxazole-4-carboxylate
CID 871048
ethyl 2-methoxy-4,5-diphenylfuran-3-carboxylate
CID 11056368
ethyl 6-[2-[3-(4-phenylphenyl)propanoyl]-1,3-oxazol-5-yl]pyridine-2-carboxylate
CID 24800513

Frequently Asked Questions

What is the IUPAC name of ethyl 4-phenyl-5-(2-phenylethyl)-1,3-oxazole-2-carboxylate?
The IUPAC name of ethyl 4-phenyl-5-(2-phenylethyl)-1,3-oxazole-2-carboxylate (CID 143259904) is ethyl 4-phenyl-5-(2-phenylethyl)-1,3-oxazole-2-carboxylate.
What is the SMILES notation for ethyl 4-phenyl-5-(2-phenylethyl)-1,3-oxazole-2-carboxylate?
The canonical SMILES for ethyl 4-phenyl-5-(2-phenylethyl)-1,3-oxazole-2-carboxylate is CCOC(=O)c1nc(-c2ccccc2)c(CCc2ccccc2)o1.
What is the InChIKey of ethyl 4-phenyl-5-(2-phenylethyl)-1,3-oxazole-2-carboxylate?
The InChIKey is XYSNXVJCVSNWQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19NO3/c1-2-23-20(22)19-21-18(16-11-7-4-8-12-16)17(24-19)14-13-15-9-5-3-6-10-15/h3-12H,2,13-14H2,1H3.
What are the key properties of ethyl 4-phenyl-5-(2-phenylethyl)-1,3-oxazole-2-carboxylate?
ethyl 4-phenyl-5-(2-phenylethyl)-1,3-oxazole-2-carboxylate has a molecular weight of 321.38 g/mol, XLogP of 4.30, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-phenyl-5-(2-phenylethyl)-1,3-oxazole-2-carboxylate is sourced from PubChem (CID 143259904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).