5-(2,4-dimethylquinolin-7-yl)-3-(oxolan-3-yl)-1,2,4-oxadiazole

C17H17N3O2 — CID 72897701

IUPAC5-(2,4-dimethylquinolin-7-yl)-3-(oxolan-3-yl)-1,2,4-oxadiazole
SMILESCc1cc(C)c2ccc(-c3nc(C4CCOC4)no3)cc2n1
InChIInChI=1S/C17H17N3O2/c1-10-7-11(2)18-15-8-12(3-4-14(10)15)17-19-16(20-22-17)13-5-6-21-9-13/h3-4,7-8,13H,5-6,9H2,1-2H3
InChIKeyLHJBVPMRCKHNAY-UHFFFAOYSA-N
MW295.34 g/mol
LogP3.41
Rot. Bonds2

About 5-(2,4-dimethylquinolin-7-yl)-3-(oxolan-3-yl)-1,2,4-oxadiazole

5-(2,4-dimethylquinolin-7-yl)-3-(oxolan-3-yl)-1,2,4-oxadiazole (PubChem CID 72897701) has the molecular formula C17H17N3O2 and a molecular weight of 295.34 g/mol. Its IUPAC name is 5-(2,4-dimethylquinolin-7-yl)-3-(oxolan-3-yl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-(2,4-dimethylquinolin-7-yl)-3-(oxolan-3-yl)-1,2,4-oxadiazole
PubChem CID72897701
Molecular FormulaC17H17N3O2
Molecular Weight295.34 g/mol
Exact Mass295.13
IUPAC Name5-(2,4-dimethylquinolin-7-yl)-3-(oxolan-3-yl)-1,2,4-oxadiazole
SMILESCc1cc(C)c2ccc(-c3nc(C4CCOC4)no3)cc2n1
InChIInChI=1S/C17H17N3O2/c1-10-7-11(2)18-15-8-12(3-4-14(10)15)17-19-16(20-22-17)13-5-6-21-9-13/h3-4,7-8,13H,5-6,9H2,1-2H3
InChIKeyLHJBVPMRCKHNAY-UHFFFAOYSA-N
XLogP3.41
TPSA61.04 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.34
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-[(3R)-oxolan-3-yl]-5-quinoxalin-6-yl-1,2,4-oxadiazole
CID 97436994
5-(4-methoxy-3,5-dimethylphenyl)-3-[(3R)-oxolan-3-yl]-1,2,4-oxadiazole
CID 97436599
5-(2-methyl-1,3-benzothiazol-5-yl)-3-[(3R)-oxolan-3-yl]-1,2,4-oxadiazole
CID 97444499
3-methyl-7-[3-[(3S)-oxolan-3-yl]-1,2,4-oxadiazol-5-yl]quinazolin-4-one
CID 97443977
3-(oxolan-3-yl)-5-(2,4,5-trimethylphenyl)-1,2,4-oxadiazole
CID 72939607
2-bromo-5-[3-(oxolan-3-yl)-1,2,4-oxadiazol-5-yl]aniline
CID 107813760
5-(4-ethylphenyl)-3-[(3R)-oxolan-3-yl]-1,2,4-oxadiazole
CID 97443285
5-(6-ethyl-2-methylquinolin-4-yl)-3-[(3S)-oxolan-3-yl]-1,2,4-oxadiazole
CID 97437705
N,N-dimethyl-3-[3-[(3S)-oxolan-3-yl]-1,2,4-oxadiazol-5-yl]aniline
CID 97433611
3-[(3S)-oxolan-3-yl]-5-(2,4,6-trimethylphenyl)-1,2,4-oxadiazole
CID 97436766
2-methoxy-5-[3-[(3R)-oxolan-3-yl]-1,2,4-oxadiazol-5-yl]phenol
CID 97160932
5-(2-methylimidazo[1,2-a]pyridin-6-yl)-3-[(3S)-oxolan-3-yl]-1,2,4-oxadiazole
CID 97454586

Frequently Asked Questions

What is the IUPAC name of 5-(2,4-dimethylquinolin-7-yl)-3-(oxolan-3-yl)-1,2,4-oxadiazole?
The IUPAC name of 5-(2,4-dimethylquinolin-7-yl)-3-(oxolan-3-yl)-1,2,4-oxadiazole (CID 72897701) is 5-(2,4-dimethylquinolin-7-yl)-3-(oxolan-3-yl)-1,2,4-oxadiazole.
What is the SMILES notation for 5-(2,4-dimethylquinolin-7-yl)-3-(oxolan-3-yl)-1,2,4-oxadiazole?
The canonical SMILES for 5-(2,4-dimethylquinolin-7-yl)-3-(oxolan-3-yl)-1,2,4-oxadiazole is Cc1cc(C)c2ccc(-c3nc(C4CCOC4)no3)cc2n1.
What is the InChIKey of 5-(2,4-dimethylquinolin-7-yl)-3-(oxolan-3-yl)-1,2,4-oxadiazole?
The InChIKey is LHJBVPMRCKHNAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O2/c1-10-7-11(2)18-15-8-12(3-4-14(10)15)17-19-16(20-22-17)13-5-6-21-9-13/h3-4,7-8,13H,5-6,9H2,1-2H3.
What are the key properties of 5-(2,4-dimethylquinolin-7-yl)-3-(oxolan-3-yl)-1,2,4-oxadiazole?
5-(2,4-dimethylquinolin-7-yl)-3-(oxolan-3-yl)-1,2,4-oxadiazole has a molecular weight of 295.34 g/mol, XLogP of 3.41, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,4-dimethylquinolin-7-yl)-3-(oxolan-3-yl)-1,2,4-oxadiazole is sourced from PubChem (CID 72897701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).