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

C16H17NO4 — CID 11033486

IUPACethyl 4-acetyl-5-(2-phenylethyl)-1,2-oxazole-3-carboxylate
SMILESCCOC(=O)c1noc(CCc2ccccc2)c1C(C)=O
InChIInChI=1S/C16H17NO4/c1-3-20-16(19)15-14(11(2)18)13(21-17-15)10-9-12-7-5-4-6-8-12/h4-8H,3,9-10H2,1-2H3
InChIKeyNDJWGAXMWOFCAV-UHFFFAOYSA-N
MW287.32 g/mol
LogP2.84
Rot. Bonds6

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

ethyl 4-acetyl-5-(2-phenylethyl)-1,2-oxazole-3-carboxylate (PubChem CID 11033486) has the molecular formula C16H17NO4 and a molecular weight of 287.32 g/mol. Its IUPAC name is ethyl 4-acetyl-5-(2-phenylethyl)-1,2-oxazole-3-carboxylate.

Molecular Properties

Compound Nameethyl 4-acetyl-5-(2-phenylethyl)-1,2-oxazole-3-carboxylate
PubChem CID11033486
Molecular FormulaC16H17NO4
Molecular Weight287.32 g/mol
Exact Mass287.12
IUPAC Nameethyl 4-acetyl-5-(2-phenylethyl)-1,2-oxazole-3-carboxylate
SMILESCCOC(=O)c1noc(CCc2ccccc2)c1C(C)=O
InChIInChI=1S/C16H17NO4/c1-3-20-16(19)15-14(11(2)18)13(21-17-15)10-9-12-7-5-4-6-8-12/h4-8H,3,9-10H2,1-2H3
InChIKeyNDJWGAXMWOFCAV-UHFFFAOYSA-N
XLogP2.84
TPSA69.40 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.32
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

diethyl 3-(2-phenylethyl)-1,2-oxazole-4,5-dicarboxylate
CID 146164028
ethyl 3-(10-bromoanthracen-9-yl)-5-(2-phenylethyl)-1,2-oxazole-4-carboxylate
CID 13009940
triethyl 5-(2-phenylethyl)furan-2,3,4-tricarboxylate
CID 15812358
ethyl 5-(2-phenylethyl)-1,2-oxazole-3-carboxylate
CID 90326174
ethyl 4-phenyl-5-(2-phenylethyl)-1,3-oxazole-2-carboxylate
CID 143259904
ethyl 4-(2-phenylethylamino)-[1,2]oxazolo[5,4-d]pyrimidine-3-carboxylate
CID 20947898
ethyl 5-(2-phenylethyl)-1,3,4-oxadiazole-2-carboxylate
CID 16767504
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 3-benzoyl-5-methyl-1,2-oxazole-4-carboxylate
CID 102300604
ethyl 4-bromo-5-ethyl-1,2-oxazole-3-carboxylate
CID 23006238
ethyl 4-amino-1-(2-phenylethyl)pyrazole-3-carboxylate
CID 107345048
methyl 2-methyl-5-(2-phenylethyl)-1,3-oxazole-4-carboxylate
CID 21494568

Frequently Asked Questions

What is the IUPAC name of ethyl 4-acetyl-5-(2-phenylethyl)-1,2-oxazole-3-carboxylate?
The IUPAC name of ethyl 4-acetyl-5-(2-phenylethyl)-1,2-oxazole-3-carboxylate (CID 11033486) is ethyl 4-acetyl-5-(2-phenylethyl)-1,2-oxazole-3-carboxylate.
What is the SMILES notation for ethyl 4-acetyl-5-(2-phenylethyl)-1,2-oxazole-3-carboxylate?
The canonical SMILES for ethyl 4-acetyl-5-(2-phenylethyl)-1,2-oxazole-3-carboxylate is CCOC(=O)c1noc(CCc2ccccc2)c1C(C)=O.
What is the InChIKey of ethyl 4-acetyl-5-(2-phenylethyl)-1,2-oxazole-3-carboxylate?
The InChIKey is NDJWGAXMWOFCAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO4/c1-3-20-16(19)15-14(11(2)18)13(21-17-15)10-9-12-7-5-4-6-8-12/h4-8H,3,9-10H2,1-2H3.
What are the key properties of ethyl 4-acetyl-5-(2-phenylethyl)-1,2-oxazole-3-carboxylate?
ethyl 4-acetyl-5-(2-phenylethyl)-1,2-oxazole-3-carboxylate has a molecular weight of 287.32 g/mol, XLogP of 2.84, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-acetyl-5-(2-phenylethyl)-1,2-oxazole-3-carboxylate is sourced from PubChem (CID 11033486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).