2-[3-(8-methoxyquinolin-5-yl)phenyl]-5-methyl-1,3,4-oxadiazole

C19H15N3O2 — CID 56717633

IUPAC2-[3-(8-methoxyquinolin-5-yl)phenyl]-5-methyl-1,3,4-oxadiazole
SMILESCOc1ccc(-c2cccc(-c3nnc(C)o3)c2)c2cccnc12
InChIInChI=1S/C19H15N3O2/c1-12-21-22-19(24-12)14-6-3-5-13(11-14)15-8-9-17(23-2)18-16(15)7-4-10-20-18/h3-11H,1-2H3
InChIKeyCPBXVADHSOTQAH-UHFFFAOYSA-N
MW317.35 g/mol
LogP4.27
Rot. Bonds3

About 2-[3-(8-methoxyquinolin-5-yl)phenyl]-5-methyl-1,3,4-oxadiazole

2-[3-(8-methoxyquinolin-5-yl)phenyl]-5-methyl-1,3,4-oxadiazole (PubChem CID 56717633) has the molecular formula C19H15N3O2 and a molecular weight of 317.35 g/mol. Its IUPAC name is 2-[3-(8-methoxyquinolin-5-yl)phenyl]-5-methyl-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-[3-(8-methoxyquinolin-5-yl)phenyl]-5-methyl-1,3,4-oxadiazole
PubChem CID56717633
Molecular FormulaC19H15N3O2
Molecular Weight317.35 g/mol
Exact Mass317.12
IUPAC Name2-[3-(8-methoxyquinolin-5-yl)phenyl]-5-methyl-1,3,4-oxadiazole
SMILESCOc1ccc(-c2cccc(-c3nnc(C)o3)c2)c2cccnc12
InChIInChI=1S/C19H15N3O2/c1-12-21-22-19(24-12)14-6-3-5-13(11-14)15-8-9-17(23-2)18-16(15)7-4-10-20-18/h3-11H,1-2H3
InChIKeyCPBXVADHSOTQAH-UHFFFAOYSA-N
XLogP4.27
TPSA61.04 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.35
LogP ≤ 54.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-(8-methoxyquinolin-5-yl)benzoic acid
CID 82039973
2,3-dimethoxy-5-(8-methoxyquinolin-5-yl)benzoic acid
CID 82039992
2,3-dimethoxy-5-(8-methoxyquinolin-5-yl)benzaldehyde
CID 82039986
ethane;2-methyl-5-[3-(3-methylphenyl)phenyl]-1,3,4-oxadiazole
CID 166546394
3,4-dimethoxy-5-(8-methoxyquinolin-5-yl)benzonitrile
CID 39231570
5-(8-methoxyquinolin-5-yl)furan-2-carboxylic acid
CID 56716559
8-methoxy-5-(1H-1,2,4-triazol-5-yl)quinoline
CID 56858566
4-(8-methoxyquinolin-5-yl)-2-piperidin-1-ylbenzamide
CID 69175133
2-[3-[3-[(1R)-1-methoxyethyl]phenyl]phenyl]-5-methyl-1,3,4-oxadiazole
CID 97437656
N-[2-methoxy-5-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]formamide
CID 168650811
[2-(hydroxymethyl)pyrrolidin-1-yl]-[3-(8-methoxyquinolin-5-yl)phenyl]methanone
CID 156608724
3-(8-methoxyquinolin-5-yl)-1H-indazol-4-amine
CID 39220575

Frequently Asked Questions

What is the IUPAC name of 2-[3-(8-methoxyquinolin-5-yl)phenyl]-5-methyl-1,3,4-oxadiazole?
The IUPAC name of 2-[3-(8-methoxyquinolin-5-yl)phenyl]-5-methyl-1,3,4-oxadiazole (CID 56717633) is 2-[3-(8-methoxyquinolin-5-yl)phenyl]-5-methyl-1,3,4-oxadiazole.
What is the SMILES notation for 2-[3-(8-methoxyquinolin-5-yl)phenyl]-5-methyl-1,3,4-oxadiazole?
The canonical SMILES for 2-[3-(8-methoxyquinolin-5-yl)phenyl]-5-methyl-1,3,4-oxadiazole is COc1ccc(-c2cccc(-c3nnc(C)o3)c2)c2cccnc12.
What is the InChIKey of 2-[3-(8-methoxyquinolin-5-yl)phenyl]-5-methyl-1,3,4-oxadiazole?
The InChIKey is CPBXVADHSOTQAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15N3O2/c1-12-21-22-19(24-12)14-6-3-5-13(11-14)15-8-9-17(23-2)18-16(15)7-4-10-20-18/h3-11H,1-2H3.
What are the key properties of 2-[3-(8-methoxyquinolin-5-yl)phenyl]-5-methyl-1,3,4-oxadiazole?
2-[3-(8-methoxyquinolin-5-yl)phenyl]-5-methyl-1,3,4-oxadiazole has a molecular weight of 317.35 g/mol, XLogP of 4.27, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(8-methoxyquinolin-5-yl)phenyl]-5-methyl-1,3,4-oxadiazole is sourced from PubChem (CID 56717633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).