ethyl 5-[(2-ethoxycarbonylquinolin-4-yl)oxymethyl]-1,2-oxazole-3-carboxylate

C19H18N2O6 — CID 44572513

IUPACethyl 5-[(2-ethoxycarbonylquinolin-4-yl)oxymethyl]-1,2-oxazole-3-carboxylate
SMILESCCOC(=O)c1cc(COc2cc(C(=O)OCC)nc3ccccc23)on1
InChIInChI=1S/C19H18N2O6/c1-3-24-18(22)15-10-17(13-7-5-6-8-14(13)20-15)26-11-12-9-16(21-27-12)19(23)25-4-2/h5-10H,3-4,11H2,1-2H3
InChIKeyNVPIKFGRPHLPEK-UHFFFAOYSA-N
MW370.36 g/mol
LogP3.16
Rot. Bonds7

About ethyl 5-[(2-ethoxycarbonylquinolin-4-yl)oxymethyl]-1,2-oxazole-3-carboxylate

ethyl 5-[(2-ethoxycarbonylquinolin-4-yl)oxymethyl]-1,2-oxazole-3-carboxylate (PubChem CID 44572513) has the molecular formula C19H18N2O6 and a molecular weight of 370.36 g/mol. Its IUPAC name is ethyl 5-[(2-ethoxycarbonylquinolin-4-yl)oxymethyl]-1,2-oxazole-3-carboxylate.

Molecular Properties

Compound Nameethyl 5-[(2-ethoxycarbonylquinolin-4-yl)oxymethyl]-1,2-oxazole-3-carboxylate
PubChem CID44572513
Molecular FormulaC19H18N2O6
Molecular Weight370.36 g/mol
Exact Mass370.12
IUPAC Nameethyl 5-[(2-ethoxycarbonylquinolin-4-yl)oxymethyl]-1,2-oxazole-3-carboxylate
SMILESCCOC(=O)c1cc(COc2cc(C(=O)OCC)nc3ccccc23)on1
InChIInChI=1S/C19H18N2O6/c1-3-24-18(22)15-10-17(13-7-5-6-8-14(13)20-15)26-11-12-9-16(21-27-12)19(23)25-4-2/h5-10H,3-4,11H2,1-2H3
InChIKeyNVPIKFGRPHLPEK-UHFFFAOYSA-N
XLogP3.16
TPSA100.75 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.36
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of ethyl 5-[(2-ethoxycarbonylquinolin-4-yl)oxymethyl]-1,2-oxazole-3-carboxylate?
The IUPAC name of ethyl 5-[(2-ethoxycarbonylquinolin-4-yl)oxymethyl]-1,2-oxazole-3-carboxylate (CID 44572513) is ethyl 5-[(2-ethoxycarbonylquinolin-4-yl)oxymethyl]-1,2-oxazole-3-carboxylate.
What is the SMILES notation for ethyl 5-[(2-ethoxycarbonylquinolin-4-yl)oxymethyl]-1,2-oxazole-3-carboxylate?
The canonical SMILES for ethyl 5-[(2-ethoxycarbonylquinolin-4-yl)oxymethyl]-1,2-oxazole-3-carboxylate is CCOC(=O)c1cc(COc2cc(C(=O)OCC)nc3ccccc23)on1.
What is the InChIKey of ethyl 5-[(2-ethoxycarbonylquinolin-4-yl)oxymethyl]-1,2-oxazole-3-carboxylate?
The InChIKey is NVPIKFGRPHLPEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O6/c1-3-24-18(22)15-10-17(13-7-5-6-8-14(13)20-15)26-11-12-9-16(21-27-12)19(23)25-4-2/h5-10H,3-4,11H2,1-2H3.
What are the key properties of ethyl 5-[(2-ethoxycarbonylquinolin-4-yl)oxymethyl]-1,2-oxazole-3-carboxylate?
ethyl 5-[(2-ethoxycarbonylquinolin-4-yl)oxymethyl]-1,2-oxazole-3-carboxylate has a molecular weight of 370.36 g/mol, XLogP of 3.16, 7 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-[(2-ethoxycarbonylquinolin-4-yl)oxymethyl]-1,2-oxazole-3-carboxylate is sourced from PubChem (CID 44572513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).