ethyl 5-[(E)-2-quinolin-6-ylethenyl]-1,2-oxazole-3-carboxylate

C17H14N2O3 — CID 44549334

IUPACethyl 5-[(E)-2-quinolin-6-ylethenyl]-1,2-oxazole-3-carboxylate
SMILESCCOC(=O)c1cc(/C=C/c2ccc3ncccc3c2)on1
InChIInChI=1S/C17H14N2O3/c1-2-21-17(20)16-11-14(22-19-16)7-5-12-6-8-15-13(10-12)4-3-9-18-15/h3-11H,2H2,1H3/b7-5+
InChIKeyYIJZQCCUCACWOB-FNORWQNLSA-N
MW294.31 g/mol
LogP3.57
Rot. Bonds4

About ethyl 5-[(E)-2-quinolin-6-ylethenyl]-1,2-oxazole-3-carboxylate

ethyl 5-[(E)-2-quinolin-6-ylethenyl]-1,2-oxazole-3-carboxylate (PubChem CID 44549334) has the molecular formula C17H14N2O3 and a molecular weight of 294.31 g/mol. Its IUPAC name is ethyl 5-[(E)-2-quinolin-6-ylethenyl]-1,2-oxazole-3-carboxylate.

Molecular Properties

Compound Nameethyl 5-[(E)-2-quinolin-6-ylethenyl]-1,2-oxazole-3-carboxylate
PubChem CID44549334
Molecular FormulaC17H14N2O3
Molecular Weight294.31 g/mol
Exact Mass294.10
IUPAC Nameethyl 5-[(E)-2-quinolin-6-ylethenyl]-1,2-oxazole-3-carboxylate
SMILESCCOC(=O)c1cc(/C=C/c2ccc3ncccc3c2)on1
InChIInChI=1S/C17H14N2O3/c1-2-21-17(20)16-11-14(22-19-16)7-5-12-6-8-15-13(10-12)4-3-9-18-15/h3-11H,2H2,1H3/b7-5+
InChIKeyYIJZQCCUCACWOB-FNORWQNLSA-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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Related Compounds

(R)-ethyl 5-(6-(2-(2-methylpyrrolidin-1-yl)ethyl)quinolin-2-yl)isoxazole-3-carboxylate
CID 46890639
ethyl 5-[(Z)-2-(4-quinolyl)vinyl]isoxazole-3-carboxylate
CID 44549330
E-Ethyl 5-[2-(4-quinolinyl)ethenyl]-3-isoxazolecarboxylate
CID 44549331
E-Ethyl 5-[2-(6-methoxy-4-quinolinyl)ethenyl]-3-isoxazolecarboxylate
CID 44549461
5-[(Z)-2-[2,6-bis(trifluoromethyl)quinolin-4-yl]ethenyl]-4-ethyl-1,2-oxazole-3-carboxylic acid
CID 45483768
methyl 5-[6-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]quinolin-2-yl]-1,2-oxazole-3-carboxylate
CID 56669644
butyl 5-[(E)-2-(6-methoxy-4-quinolyl)vinyl]isoxazole-3-carboxylate
CID 44479449
ethyl 5-[(E)-2-(6-methoxy-3-pyridyl)vinyl]isoxazole-3-carboxylate
CID 44479941
butyl 5-[(E)-2-(6-methoxy-3-pyridyl)vinyl]isoxazole-3-carboxylate
CID 44480188
Ethyl 5-[2-(4-quinolyl)ethyl]isoxazole-3-carboxylate
CID 44549332
ethyl 5-[(Z)-2-quinolin-6-ylethenyl]-1,2-oxazole-3-carboxylate
CID 44549333
E-Ethyl 5-[2-[2,8-bis(trifluoromethyl)-4-quinolinyl]ethenyl]-3-isoxazolecarboxylate
CID 44549335

Frequently Asked Questions

What is the IUPAC name of ethyl 5-[(E)-2-quinolin-6-ylethenyl]-1,2-oxazole-3-carboxylate?
The IUPAC name of ethyl 5-[(E)-2-quinolin-6-ylethenyl]-1,2-oxazole-3-carboxylate (CID 44549334) is ethyl 5-[(E)-2-quinolin-6-ylethenyl]-1,2-oxazole-3-carboxylate.
What is the SMILES notation for ethyl 5-[(E)-2-quinolin-6-ylethenyl]-1,2-oxazole-3-carboxylate?
The canonical SMILES for ethyl 5-[(E)-2-quinolin-6-ylethenyl]-1,2-oxazole-3-carboxylate is CCOC(=O)c1cc(/C=C/c2ccc3ncccc3c2)on1.
What is the InChIKey of ethyl 5-[(E)-2-quinolin-6-ylethenyl]-1,2-oxazole-3-carboxylate?
The InChIKey is YIJZQCCUCACWOB-FNORWQNLSA-N. The full InChI is InChI=1S/C17H14N2O3/c1-2-21-17(20)16-11-14(22-19-16)7-5-12-6-8-15-13(10-12)4-3-9-18-15/h3-11H,2H2,1H3/b7-5+.
What are the key properties of ethyl 5-[(E)-2-quinolin-6-ylethenyl]-1,2-oxazole-3-carboxylate?
ethyl 5-[(E)-2-quinolin-6-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-6-ylethenyl]-1,2-oxazole-3-carboxylate is sourced from PubChem (CID 44549334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).