5-(6-ethyl-2-methylquinolin-4-yl)-3-[(3S)-oxolan-3-yl]-1,2,4-oxadiazole

C18H19N3O2 — CID 97437705

IUPAC5-(6-ethyl-2-methylquinolin-4-yl)-3-[(3S)-oxolan-3-yl]-1,2,4-oxadiazole
SMILESCCc1ccc2nc(C)cc(-c3nc([C@@H]4CCOC4)no3)c2c1
InChIInChI=1S/C18H19N3O2/c1-3-12-4-5-16-14(9-12)15(8-11(2)19-16)18-20-17(21-23-18)13-6-7-22-10-13/h4-5,8-9,13H,3,6-7,10H2,1-2H3/t13-/m1/s1
InChIKeyPEUVIEFJEQWMTA-CYBMUJFWSA-N
MW309.37 g/mol
LogP3.66
Rot. Bonds3

About 5-(6-ethyl-2-methylquinolin-4-yl)-3-[(3S)-oxolan-3-yl]-1,2,4-oxadiazole

5-(6-ethyl-2-methylquinolin-4-yl)-3-[(3S)-oxolan-3-yl]-1,2,4-oxadiazole (PubChem CID 97437705) has the molecular formula C18H19N3O2 and a molecular weight of 309.37 g/mol. Its IUPAC name is 5-(6-ethyl-2-methylquinolin-4-yl)-3-[(3S)-oxolan-3-yl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-(6-ethyl-2-methylquinolin-4-yl)-3-[(3S)-oxolan-3-yl]-1,2,4-oxadiazole
PubChem CID97437705
Molecular FormulaC18H19N3O2
Molecular Weight309.37 g/mol
Exact Mass309.15
IUPAC Name5-(6-ethyl-2-methylquinolin-4-yl)-3-[(3S)-oxolan-3-yl]-1,2,4-oxadiazole
SMILESCCc1ccc2nc(C)cc(-c3nc([C@@H]4CCOC4)no3)c2c1
InChIInChI=1S/C18H19N3O2/c1-3-12-4-5-16-14(9-12)15(8-11(2)19-16)18-20-17(21-23-18)13-6-7-22-10-13/h4-5,8-9,13H,3,6-7,10H2,1-2H3/t13-/m1/s1
InChIKeyPEUVIEFJEQWMTA-CYBMUJFWSA-N
XLogP3.66
TPSA61.04 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.37
LogP ≤ 53.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 5-(6-ethyl-2-methylquinolin-4-yl)-3-[(3S)-oxolan-3-yl]-1,2,4-oxadiazole with MolForge

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Related Compounds

5-(4-ethylphenyl)-3-[(3R)-oxolan-3-yl]-1,2,4-oxadiazole
CID 97443285
3,6-dimethyl-4-[3-[(3R)-oxolan-3-yl]-1,2,4-oxadiazol-5-yl]-[1,2]oxazolo[5,4-b]pyridine
CID 97445273
5-(2,4-dimethylquinolin-7-yl)-3-(oxolan-3-yl)-1,2,4-oxadiazole
CID 72897701
3-(oxolan-3-yl)-5-(2,4,5-trimethylphenyl)-1,2,4-oxadiazole
CID 72939607
4-methyl-2-[3-[(3S)-oxolan-3-yl]-1,2,4-oxadiazol-5-yl]phenol
CID 136678833
5-(2-methoxyquinolin-4-yl)-3-[(3S)-oxolan-3-yl]-1,2,4-oxadiazole
CID 97434815
5-(2-methoxyquinolin-4-yl)-3-[(3R)-oxolan-3-yl]-1,2,4-oxadiazole
CID 97434816
5-(5-fluoro-2-methylphenyl)-3-(oxolan-3-yl)-1,2,4-oxadiazole
CID 72916243
6-methyl-4-[3-[(3R)-oxolan-3-yl]-1,2,4-oxadiazol-5-yl]-1H-quinolin-2-one
CID 97438027
4-iodo-2-[3-(oxolan-3-yl)-1,2,4-oxadiazol-5-yl]phenol
CID 136886042
N-ethyl-N-[[5-methyl-4-[3-[(3S)-oxolan-3-yl]-1,2,4-oxadiazol-5-yl]furan-2-yl]methyl]ethanamine
CID 97444577
N-ethyl-N-[[5-methyl-4-[3-[(3R)-oxolan-3-yl]-1,2,4-oxadiazol-5-yl]furan-2-yl]methyl]ethanamine
CID 97444578

Frequently Asked Questions

What is the IUPAC name of 5-(6-ethyl-2-methylquinolin-4-yl)-3-[(3S)-oxolan-3-yl]-1,2,4-oxadiazole?
The IUPAC name of 5-(6-ethyl-2-methylquinolin-4-yl)-3-[(3S)-oxolan-3-yl]-1,2,4-oxadiazole (CID 97437705) is 5-(6-ethyl-2-methylquinolin-4-yl)-3-[(3S)-oxolan-3-yl]-1,2,4-oxadiazole.
What is the SMILES notation for 5-(6-ethyl-2-methylquinolin-4-yl)-3-[(3S)-oxolan-3-yl]-1,2,4-oxadiazole?
The canonical SMILES for 5-(6-ethyl-2-methylquinolin-4-yl)-3-[(3S)-oxolan-3-yl]-1,2,4-oxadiazole is CCc1ccc2nc(C)cc(-c3nc([C@@H]4CCOC4)no3)c2c1.
What is the InChIKey of 5-(6-ethyl-2-methylquinolin-4-yl)-3-[(3S)-oxolan-3-yl]-1,2,4-oxadiazole?
The InChIKey is PEUVIEFJEQWMTA-CYBMUJFWSA-N. The full InChI is InChI=1S/C18H19N3O2/c1-3-12-4-5-16-14(9-12)15(8-11(2)19-16)18-20-17(21-23-18)13-6-7-22-10-13/h4-5,8-9,13H,3,6-7,10H2,1-2H3/t13-/m1/s1.
What are the key properties of 5-(6-ethyl-2-methylquinolin-4-yl)-3-[(3S)-oxolan-3-yl]-1,2,4-oxadiazole?
5-(6-ethyl-2-methylquinolin-4-yl)-3-[(3S)-oxolan-3-yl]-1,2,4-oxadiazole has a molecular weight of 309.37 g/mol, XLogP of 3.66, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(6-ethyl-2-methylquinolin-4-yl)-3-[(3S)-oxolan-3-yl]-1,2,4-oxadiazole is sourced from PubChem (CID 97437705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).