5-(4-ethoxyphenyl)-N-(8-ethoxyquinolin-5-yl)-1,2-oxazole-3-carboxamide

C23H21N3O4 — CID 39866230

IUPAC5-(4-ethoxyphenyl)-N-(8-ethoxyquinolin-5-yl)-1,2-oxazole-3-carboxamide
SMILESCCOc1ccc(-c2cc(C(=O)Nc3ccc(OCC)c4ncccc34)no2)cc1
InChIInChI=1S/C23H21N3O4/c1-3-28-16-9-7-15(8-10-16)21-14-19(26-30-21)23(27)25-18-11-12-20(29-4-2)22-17(18)6-5-13-24-22/h5-14H,3-4H2,1-2H3,(H,25,27)
InChIKeyAKCBFPHDDUDSTK-UHFFFAOYSA-N
MW403.44 g/mol
LogP4.94
Rot. Bonds7

About 5-(4-ethoxyphenyl)-N-(8-ethoxyquinolin-5-yl)-1,2-oxazole-3-carboxamide

5-(4-ethoxyphenyl)-N-(8-ethoxyquinolin-5-yl)-1,2-oxazole-3-carboxamide (PubChem CID 39866230) has the molecular formula C23H21N3O4 and a molecular weight of 403.44 g/mol. Its IUPAC name is 5-(4-ethoxyphenyl)-N-(8-ethoxyquinolin-5-yl)-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound Name5-(4-ethoxyphenyl)-N-(8-ethoxyquinolin-5-yl)-1,2-oxazole-3-carboxamide
PubChem CID39866230
Molecular FormulaC23H21N3O4
Molecular Weight403.44 g/mol
Exact Mass403.15
IUPAC Name5-(4-ethoxyphenyl)-N-(8-ethoxyquinolin-5-yl)-1,2-oxazole-3-carboxamide
SMILESCCOc1ccc(-c2cc(C(=O)Nc3ccc(OCC)c4ncccc34)no2)cc1
InChIInChI=1S/C23H21N3O4/c1-3-28-16-9-7-15(8-10-16)21-14-19(26-30-21)23(27)25-18-11-12-20(29-4-2)22-17(18)6-5-13-24-22/h5-14H,3-4H2,1-2H3,(H,25,27)
InChIKeyAKCBFPHDDUDSTK-UHFFFAOYSA-N
XLogP4.94
TPSA86.48 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.44
LogP ≤ 54.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-(4-ethoxyphenyl)-N-(8-ethoxyquinolin-5-yl)-1,2-oxazole-3-carboxamide?
The IUPAC name of 5-(4-ethoxyphenyl)-N-(8-ethoxyquinolin-5-yl)-1,2-oxazole-3-carboxamide (CID 39866230) is 5-(4-ethoxyphenyl)-N-(8-ethoxyquinolin-5-yl)-1,2-oxazole-3-carboxamide.
What is the SMILES notation for 5-(4-ethoxyphenyl)-N-(8-ethoxyquinolin-5-yl)-1,2-oxazole-3-carboxamide?
The canonical SMILES for 5-(4-ethoxyphenyl)-N-(8-ethoxyquinolin-5-yl)-1,2-oxazole-3-carboxamide is CCOc1ccc(-c2cc(C(=O)Nc3ccc(OCC)c4ncccc34)no2)cc1.
What is the InChIKey of 5-(4-ethoxyphenyl)-N-(8-ethoxyquinolin-5-yl)-1,2-oxazole-3-carboxamide?
The InChIKey is AKCBFPHDDUDSTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N3O4/c1-3-28-16-9-7-15(8-10-16)21-14-19(26-30-21)23(27)25-18-11-12-20(29-4-2)22-17(18)6-5-13-24-22/h5-14H,3-4H2,1-2H3,(H,25,27).
What are the key properties of 5-(4-ethoxyphenyl)-N-(8-ethoxyquinolin-5-yl)-1,2-oxazole-3-carboxamide?
5-(4-ethoxyphenyl)-N-(8-ethoxyquinolin-5-yl)-1,2-oxazole-3-carboxamide has a molecular weight of 403.44 g/mol, XLogP of 4.94, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-ethoxyphenyl)-N-(8-ethoxyquinolin-5-yl)-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 39866230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).