ethyl 5-(2-quinolin-4-ylethyl)-1,2-oxazole-3-carboxylate

C17H16N2O3 — CID 44549332

IUPACethyl 5-(2-quinolin-4-ylethyl)-1,2-oxazole-3-carboxylate
SMILESCCOC(=O)c1cc(CCc2ccnc3ccccc23)on1
InChIInChI=1S/C17H16N2O3/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/h3-6,9-11H,2,7-8H2,1H3
InChIKeyRLIWGKJYSBIHQT-UHFFFAOYSA-N
MW296.33 g/mol
LogP3.18
Rot. Bonds5

About ethyl 5-(2-quinolin-4-ylethyl)-1,2-oxazole-3-carboxylate

ethyl 5-(2-quinolin-4-ylethyl)-1,2-oxazole-3-carboxylate (PubChem CID 44549332) has the molecular formula C17H16N2O3 and a molecular weight of 296.33 g/mol. Its IUPAC name is ethyl 5-(2-quinolin-4-ylethyl)-1,2-oxazole-3-carboxylate.

Molecular Properties

Compound Nameethyl 5-(2-quinolin-4-ylethyl)-1,2-oxazole-3-carboxylate
PubChem CID44549332
Molecular FormulaC17H16N2O3
Molecular Weight296.33 g/mol
Exact Mass296.12
IUPAC Nameethyl 5-(2-quinolin-4-ylethyl)-1,2-oxazole-3-carboxylate
SMILESCCOC(=O)c1cc(CCc2ccnc3ccccc23)on1
InChIInChI=1S/C17H16N2O3/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/h3-6,9-11H,2,7-8H2,1H3
InChIKeyRLIWGKJYSBIHQT-UHFFFAOYSA-N
XLogP3.18
TPSA65.22 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.33
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-(4-Pyridin-4-yl-isoxazol-5-yl)-phenoxymethyl]-quinoline
CID 11653755
(R)-ethyl 3-methyl-5-(6-(2-(2-methylpyrrolidin-1-yl)ethyl)quinolin-2-yl)isoxazole-4-carboxylate
CID 46890640
(3-Phenyl-1,2-oxazol-5-yl)methyl quinoline-2-carboxylate
CID 666233
Ethyl 5-[3-[[2-(trifluoromethyl)-4-quinolyl]oxy]phenyl]isoxazole-3-carboxylate
CID 44572557
(R)-ethyl 5-(6-(2-(2-methylpyrrolidin-1-yl)ethyl)quinolin-2-yl)isoxazole-3-carboxylate
CID 46890639
3-(Furan-2-yl)-4-(6-methoxy-3-pyridinyl)-5-phenyl-1,2-oxazole
CID 24761345
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-quinolinyl)ethenyl]-3-isoxazolecarboxylate
CID 44549334
E-Ethyl 5-[2-(6-methoxy-4-quinolinyl)ethenyl]-3-isoxazolecarboxylate
CID 44549461
methyl 5-[6-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]quinolin-2-yl]-1,2-oxazole-3-carboxylate
CID 56669644
quinolin-4-ylmethyl (E,4R)-7-amino-4-[[(2S)-3-(4-fluorophenyl)-2-[[(2S)-3-methyl-2-[(5-methyl-1,2-oxazole-3-carbonyl)amino]butanoyl]amino]propanoyl]amino]-7-oxohept-2-enoate
CID 71453415

Frequently Asked Questions

What is the IUPAC name of ethyl 5-(2-quinolin-4-ylethyl)-1,2-oxazole-3-carboxylate?
The IUPAC name of ethyl 5-(2-quinolin-4-ylethyl)-1,2-oxazole-3-carboxylate (CID 44549332) is ethyl 5-(2-quinolin-4-ylethyl)-1,2-oxazole-3-carboxylate.
What is the SMILES notation for ethyl 5-(2-quinolin-4-ylethyl)-1,2-oxazole-3-carboxylate?
The canonical SMILES for ethyl 5-(2-quinolin-4-ylethyl)-1,2-oxazole-3-carboxylate is CCOC(=O)c1cc(CCc2ccnc3ccccc23)on1.
What is the InChIKey of ethyl 5-(2-quinolin-4-ylethyl)-1,2-oxazole-3-carboxylate?
The InChIKey is RLIWGKJYSBIHQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O3/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/h3-6,9-11H,2,7-8H2,1H3.
What are the key properties of ethyl 5-(2-quinolin-4-ylethyl)-1,2-oxazole-3-carboxylate?
ethyl 5-(2-quinolin-4-ylethyl)-1,2-oxazole-3-carboxylate has a molecular weight of 296.33 g/mol, XLogP of 3.18, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-(2-quinolin-4-ylethyl)-1,2-oxazole-3-carboxylate is sourced from PubChem (CID 44549332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).