ethyl 5-[(E)-2-(4-phenylmethoxyphenyl)ethenyl]-1,2-oxazole-3-carboxylate

C21H19NO4 — CID 45483997

IUPACethyl 5-[(E)-2-(4-phenylmethoxyphenyl)ethenyl]-1,2-oxazole-3-carboxylate
SMILESCCOC(=O)c1cc(/C=C/c2ccc(OCc3ccccc3)cc2)on1
InChIInChI=1S/C21H19NO4/c1-2-24-21(23)20-14-19(26-22-20)13-10-16-8-11-18(12-9-16)25-15-17-6-4-3-5-7-17/h3-14H,2,15H2,1H3/b13-10+
InChIKeyAXYJNHSQGHECFI-JLHYYAGUSA-N
MW349.39 g/mol
LogP4.60
Rot. Bonds7

About ethyl 5-[(E)-2-(4-phenylmethoxyphenyl)ethenyl]-1,2-oxazole-3-carboxylate

ethyl 5-[(E)-2-(4-phenylmethoxyphenyl)ethenyl]-1,2-oxazole-3-carboxylate (PubChem CID 45483997) has the molecular formula C21H19NO4 and a molecular weight of 349.39 g/mol. Its IUPAC name is ethyl 5-[(E)-2-(4-phenylmethoxyphenyl)ethenyl]-1,2-oxazole-3-carboxylate.

Molecular Properties

Compound Nameethyl 5-[(E)-2-(4-phenylmethoxyphenyl)ethenyl]-1,2-oxazole-3-carboxylate
PubChem CID45483997
Molecular FormulaC21H19NO4
Molecular Weight349.39 g/mol
Exact Mass349.13
IUPAC Nameethyl 5-[(E)-2-(4-phenylmethoxyphenyl)ethenyl]-1,2-oxazole-3-carboxylate
SMILESCCOC(=O)c1cc(/C=C/c2ccc(OCc3ccccc3)cc2)on1
InChIInChI=1S/C21H19NO4/c1-2-24-21(23)20-14-19(26-22-20)13-10-16-8-11-18(12-9-16)25-15-17-6-4-3-5-7-17/h3-14H,2,15H2,1H3/b13-10+
InChIKeyAXYJNHSQGHECFI-JLHYYAGUSA-N
XLogP4.60
TPSA61.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.39
LogP ≤ 54.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 5-[(E)-2-(4-phenylmethoxyphenyl)ethenyl]-1,2-oxazole-3-carboxylate?
The IUPAC name of ethyl 5-[(E)-2-(4-phenylmethoxyphenyl)ethenyl]-1,2-oxazole-3-carboxylate (CID 45483997) is ethyl 5-[(E)-2-(4-phenylmethoxyphenyl)ethenyl]-1,2-oxazole-3-carboxylate.
What is the SMILES notation for ethyl 5-[(E)-2-(4-phenylmethoxyphenyl)ethenyl]-1,2-oxazole-3-carboxylate?
The canonical SMILES for ethyl 5-[(E)-2-(4-phenylmethoxyphenyl)ethenyl]-1,2-oxazole-3-carboxylate is CCOC(=O)c1cc(/C=C/c2ccc(OCc3ccccc3)cc2)on1.
What is the InChIKey of ethyl 5-[(E)-2-(4-phenylmethoxyphenyl)ethenyl]-1,2-oxazole-3-carboxylate?
The InChIKey is AXYJNHSQGHECFI-JLHYYAGUSA-N. The full InChI is InChI=1S/C21H19NO4/c1-2-24-21(23)20-14-19(26-22-20)13-10-16-8-11-18(12-9-16)25-15-17-6-4-3-5-7-17/h3-14H,2,15H2,1H3/b13-10+.
What are the key properties of ethyl 5-[(E)-2-(4-phenylmethoxyphenyl)ethenyl]-1,2-oxazole-3-carboxylate?
ethyl 5-[(E)-2-(4-phenylmethoxyphenyl)ethenyl]-1,2-oxazole-3-carboxylate has a molecular weight of 349.39 g/mol, XLogP of 4.60, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-[(E)-2-(4-phenylmethoxyphenyl)ethenyl]-1,2-oxazole-3-carboxylate is sourced from PubChem (CID 45483997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).