5-(3-methoxy-5-quinolin-4-yloxyphenyl)-3-methyl-1,2,4-oxadiazole

C19H15N3O3 — CID 171346308

IUPAC5-(3-methoxy-5-quinolin-4-yloxyphenyl)-3-methyl-1,2,4-oxadiazole
SMILESCOc1cc(Oc2ccnc3ccccc23)cc(-c2nc(C)no2)c1
InChIInChI=1S/C19H15N3O3/c1-12-21-19(25-22-12)13-9-14(23-2)11-15(10-13)24-18-7-8-20-17-6-4-3-5-16(17)18/h3-11H,1-2H3
InChIKeyLCSWLXZYAHMDCY-UHFFFAOYSA-N
MW333.35 g/mol
LogP4.39
Rot. Bonds4

About 5-(3-methoxy-5-quinolin-4-yloxyphenyl)-3-methyl-1,2,4-oxadiazole

5-(3-methoxy-5-quinolin-4-yloxyphenyl)-3-methyl-1,2,4-oxadiazole (PubChem CID 171346308) has the molecular formula C19H15N3O3 and a molecular weight of 333.35 g/mol. Its IUPAC name is 5-(3-methoxy-5-quinolin-4-yloxyphenyl)-3-methyl-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-(3-methoxy-5-quinolin-4-yloxyphenyl)-3-methyl-1,2,4-oxadiazole
PubChem CID171346308
Molecular FormulaC19H15N3O3
Molecular Weight333.35 g/mol
Exact Mass333.11
IUPAC Name5-(3-methoxy-5-quinolin-4-yloxyphenyl)-3-methyl-1,2,4-oxadiazole
SMILESCOc1cc(Oc2ccnc3ccccc23)cc(-c2nc(C)no2)c1
InChIInChI=1S/C19H15N3O3/c1-12-21-19(25-22-12)13-9-14(23-2)11-15(10-13)24-18-7-8-20-17-6-4-3-5-16(17)18/h3-11H,1-2H3
InChIKeyLCSWLXZYAHMDCY-UHFFFAOYSA-N
XLogP4.39
TPSA70.27 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.35
LogP ≤ 54.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

5-(2-Ethoxyphenyl)-3-(2-methoxyquinolin-3-yl)-1,2,4-oxadiazole
CID 665510
n-(4,5-Dimethylisoxazol-3-yl)-2-[2-methoxy-4-(7-methoxyquinolin-4-yloxy)phenyl]acetamide
CID 24759205
2-[5-(3-Methoxy-phenyl)-[1,2,4]oxadiazol-3-yl]-pyridine
CID 789864
N-(5-ethyl-1,2-oxazol-3-yl)-2-[2-methoxy-4-(7-methoxyquinolin-4-yl)oxyphenyl]acetamide
CID 70694006
4-[5-(3-Methoxyphenyl)-1,2,4-oxadiazol-3-yl]pyridine
CID 789859
N-{4-[5-(3-methoxyphenyl)-1,2,4-oxadiazol-3-yl]phenyl}isonicotinamide
CID 1292479
N-(4,5-dimethyl-1,2-oxazol-3-yl)-2-[4-(6-fluoroquinolin-4-yl)oxy-2-methoxyphenyl]acetamide
CID 24759314
2-[5-(3,4,5-Trimethoxyphenyl)-1,2,4-oxadiazol-3-yl]pyridine
CID 705882
3-Pyridin-4-yl-5-(3,4,5-triethoxyphenyl)-1,2,4-oxadiazole
CID 1084020
N-(4,5-dimethyl-1,2-oxazol-3-yl)-2-[4-(7-fluoroquinolin-4-yl)oxy-2-methoxyphenyl]acetamide
CID 70685622
N-(4,5-dimethyl-1,2-oxazol-3-yl)-2-[2-methoxy-4-(6-methoxyquinolin-4-yl)oxyphenyl]acetamide
CID 70691955
5-(3,5-Dimethoxyphenyl)-3-(2-methoxy-6-methylquinolin-3-yl)-1,2,4-oxadiazole
CID 665758

Frequently Asked Questions

What is the IUPAC name of 5-(3-methoxy-5-quinolin-4-yloxyphenyl)-3-methyl-1,2,4-oxadiazole?
The IUPAC name of 5-(3-methoxy-5-quinolin-4-yloxyphenyl)-3-methyl-1,2,4-oxadiazole (CID 171346308) is 5-(3-methoxy-5-quinolin-4-yloxyphenyl)-3-methyl-1,2,4-oxadiazole.
What is the SMILES notation for 5-(3-methoxy-5-quinolin-4-yloxyphenyl)-3-methyl-1,2,4-oxadiazole?
The canonical SMILES for 5-(3-methoxy-5-quinolin-4-yloxyphenyl)-3-methyl-1,2,4-oxadiazole is COc1cc(Oc2ccnc3ccccc23)cc(-c2nc(C)no2)c1.
What is the InChIKey of 5-(3-methoxy-5-quinolin-4-yloxyphenyl)-3-methyl-1,2,4-oxadiazole?
The InChIKey is LCSWLXZYAHMDCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15N3O3/c1-12-21-19(25-22-12)13-9-14(23-2)11-15(10-13)24-18-7-8-20-17-6-4-3-5-16(17)18/h3-11H,1-2H3.
What are the key properties of 5-(3-methoxy-5-quinolin-4-yloxyphenyl)-3-methyl-1,2,4-oxadiazole?
5-(3-methoxy-5-quinolin-4-yloxyphenyl)-3-methyl-1,2,4-oxadiazole has a molecular weight of 333.35 g/mol, XLogP of 4.39, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-methoxy-5-quinolin-4-yloxyphenyl)-3-methyl-1,2,4-oxadiazole is sourced from PubChem (CID 171346308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).