5-(2-ethoxyphenyl)-3-(2-methoxy-6-methylquinolin-3-yl)-1,2,4-oxadiazole

C21H19N3O3 — CID 3788244

IUPAC5-(2-ethoxyphenyl)-3-(2-methoxy-6-methylquinolin-3-yl)-1,2,4-oxadiazole
SMILESCCOc1ccccc1-c1nc(-c2cc3cc(C)ccc3nc2OC)no1
InChIInChI=1S/C21H19N3O3/c1-4-26-18-8-6-5-7-15(18)21-23-19(24-27-21)16-12-14-11-13(2)9-10-17(14)22-20(16)25-3/h5-12H,4H2,1-3H3
InChIKeyUBHYMDZMZDNUFI-UHFFFAOYSA-N
MW361.40 g/mol
LogP4.67
Rot. Bonds5

About 5-(2-ethoxyphenyl)-3-(2-methoxy-6-methylquinolin-3-yl)-1,2,4-oxadiazole

5-(2-ethoxyphenyl)-3-(2-methoxy-6-methylquinolin-3-yl)-1,2,4-oxadiazole (PubChem CID 3788244) has the molecular formula C21H19N3O3 and a molecular weight of 361.40 g/mol. Its IUPAC name is 5-(2-ethoxyphenyl)-3-(2-methoxy-6-methylquinolin-3-yl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-(2-ethoxyphenyl)-3-(2-methoxy-6-methylquinolin-3-yl)-1,2,4-oxadiazole
PubChem CID3788244
Molecular FormulaC21H19N3O3
Molecular Weight361.40 g/mol
Exact Mass361.14
IUPAC Name5-(2-ethoxyphenyl)-3-(2-methoxy-6-methylquinolin-3-yl)-1,2,4-oxadiazole
SMILESCCOc1ccccc1-c1nc(-c2cc3cc(C)ccc3nc2OC)no1
InChIInChI=1S/C21H19N3O3/c1-4-26-18-8-6-5-7-15(18)21-23-19(24-27-21)16-12-14-11-13(2)9-10-17(14)22-20(16)25-3/h5-12H,4H2,1-3H3
InChIKeyUBHYMDZMZDNUFI-UHFFFAOYSA-N
XLogP4.67
TPSA70.27 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.40
LogP ≤ 54.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

3-(2-ethoxy-6-methoxyquinolin-3-yl)-5-(2-methoxyphenyl)-1,2,4-oxadiazole
CID 5176334
5-(2-ethoxyphenyl)-3-(4-methylphenyl)-1,2,4-oxadiazole
CID 19658008
3-(2-ethoxy-6-methoxyquinolin-3-yl)-5-(4-methylphenyl)-1,2,4-oxadiazole
CID 3549923
3-(2-methoxy-7-methylquinolin-3-yl)-5-pyridin-2-yl-1,2,4-oxadiazole
CID 3842317
3-(2-ethoxy-6-methoxyquinolin-3-yl)-5-phenyl-1,2,4-oxadiazole
CID 4318522
3-[5-(2-ethoxyphenyl)-1,2,4-oxadiazol-3-yl]-2-methylaniline
CID 19330739
5-(3,5-dimethoxyphenyl)-3-(2-ethoxyquinolin-3-yl)-1,2,4-oxadiazole
CID 4552356
3-(2-ethoxyphenyl)-5-(5-methyl-1H-pyrazol-3-yl)-1,2,4-oxadiazole
CID 94069225
3-(3-bromophenyl)-5-(2-ethoxyphenyl)-1,2,4-oxadiazole
CID 2231572
3-(2-ethoxyquinolin-3-yl)-5-(4-fluorophenyl)-1,2,4-oxadiazole
CID 3266698
5-(2-ethoxyphenyl)-3-(1-methylbenzimidazol-5-yl)-1,2,4-oxadiazole
CID 53030827
3-(2-methoxy-8-methylquinolin-3-yl)-5-(3,4,5-triethoxyphenyl)-1,2,4-oxadiazole
CID 3813118

Frequently Asked Questions

What is the IUPAC name of 5-(2-ethoxyphenyl)-3-(2-methoxy-6-methylquinolin-3-yl)-1,2,4-oxadiazole?
The IUPAC name of 5-(2-ethoxyphenyl)-3-(2-methoxy-6-methylquinolin-3-yl)-1,2,4-oxadiazole (CID 3788244) is 5-(2-ethoxyphenyl)-3-(2-methoxy-6-methylquinolin-3-yl)-1,2,4-oxadiazole.
What is the SMILES notation for 5-(2-ethoxyphenyl)-3-(2-methoxy-6-methylquinolin-3-yl)-1,2,4-oxadiazole?
The canonical SMILES for 5-(2-ethoxyphenyl)-3-(2-methoxy-6-methylquinolin-3-yl)-1,2,4-oxadiazole is CCOc1ccccc1-c1nc(-c2cc3cc(C)ccc3nc2OC)no1.
What is the InChIKey of 5-(2-ethoxyphenyl)-3-(2-methoxy-6-methylquinolin-3-yl)-1,2,4-oxadiazole?
The InChIKey is UBHYMDZMZDNUFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N3O3/c1-4-26-18-8-6-5-7-15(18)21-23-19(24-27-21)16-12-14-11-13(2)9-10-17(14)22-20(16)25-3/h5-12H,4H2,1-3H3.
What are the key properties of 5-(2-ethoxyphenyl)-3-(2-methoxy-6-methylquinolin-3-yl)-1,2,4-oxadiazole?
5-(2-ethoxyphenyl)-3-(2-methoxy-6-methylquinolin-3-yl)-1,2,4-oxadiazole has a molecular weight of 361.40 g/mol, XLogP of 4.67, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-ethoxyphenyl)-3-(2-methoxy-6-methylquinolin-3-yl)-1,2,4-oxadiazole is sourced from PubChem (CID 3788244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).