ethyl 5-[(E)-2-quinolin-4-ylethenyl]-1,2-oxazole-3-carboxylate

C17H14N2O3 — CID 44549331

IUPACethyl 5-[(E)-2-quinolin-4-ylethenyl]-1,2-oxazole-3-carboxylate
SMILESCCOC(=O)c1cc(/C=C/c2ccnc3ccccc23)on1
InChIInChI=1S/C17H14N2O3/c1-2-21-17(20)16-11-13(22-19-16)8-7-12-9-10-18-15-6-4-3-5-14(12)15/h3-11H,2H2,1H3/b8-7+
InChIKeyWYXZJYQWDLYQQF-BQYQJAHWSA-N
MW294.31 g/mol
LogP3.57
Rot. Bonds4

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

ethyl 5-[(E)-2-quinolin-4-ylethenyl]-1,2-oxazole-3-carboxylate (PubChem CID 44549331) has the molecular formula C17H14N2O3 and a molecular weight of 294.31 g/mol. Its IUPAC name is ethyl 5-[(E)-2-quinolin-4-ylethenyl]-1,2-oxazole-3-carboxylate.

Molecular Properties

Compound Nameethyl 5-[(E)-2-quinolin-4-ylethenyl]-1,2-oxazole-3-carboxylate
PubChem CID44549331
Molecular FormulaC17H14N2O3
Molecular Weight294.31 g/mol
Exact Mass294.10
IUPAC Nameethyl 5-[(E)-2-quinolin-4-ylethenyl]-1,2-oxazole-3-carboxylate
SMILESCCOC(=O)c1cc(/C=C/c2ccnc3ccccc23)on1
InChIInChI=1S/C17H14N2O3/c1-2-21-17(20)16-11-13(22-19-16)8-7-12-9-10-18-15-6-4-3-5-14(12)15/h3-11H,2H2,1H3/b8-7+
InChIKeyWYXZJYQWDLYQQF-BQYQJAHWSA-N
XLogP3.57
TPSA65.22 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.31
LogP ≤ 53.57
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-quinolin-4-ylethenyl]-1,2-oxazole-3-carboxylate?
The IUPAC name of ethyl 5-[(E)-2-quinolin-4-ylethenyl]-1,2-oxazole-3-carboxylate (CID 44549331) is ethyl 5-[(E)-2-quinolin-4-ylethenyl]-1,2-oxazole-3-carboxylate.
What is the SMILES notation for ethyl 5-[(E)-2-quinolin-4-ylethenyl]-1,2-oxazole-3-carboxylate?
The canonical SMILES for ethyl 5-[(E)-2-quinolin-4-ylethenyl]-1,2-oxazole-3-carboxylate is CCOC(=O)c1cc(/C=C/c2ccnc3ccccc23)on1.
What is the InChIKey of ethyl 5-[(E)-2-quinolin-4-ylethenyl]-1,2-oxazole-3-carboxylate?
The InChIKey is WYXZJYQWDLYQQF-BQYQJAHWSA-N. The full InChI is InChI=1S/C17H14N2O3/c1-2-21-17(20)16-11-13(22-19-16)8-7-12-9-10-18-15-6-4-3-5-14(12)15/h3-11H,2H2,1H3/b8-7+.
What are the key properties of ethyl 5-[(E)-2-quinolin-4-ylethenyl]-1,2-oxazole-3-carboxylate?
ethyl 5-[(E)-2-quinolin-4-ylethenyl]-1,2-oxazole-3-carboxylate has a molecular weight of 294.31 g/mol, XLogP of 3.57, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-[(E)-2-quinolin-4-ylethenyl]-1,2-oxazole-3-carboxylate is sourced from PubChem (CID 44549331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).