3-[(4-methoxyphenoxy)methyl]-5-[(6-methyl-3,4-dihydro-2H-quinolin-1-yl)methyl]-1,2,4-oxadiazole

C21H23N3O3 — CID 24585745

IUPAC3-[(4-methoxyphenoxy)methyl]-5-[(6-methyl-3,4-dihydro-2H-quinolin-1-yl)methyl]-1,2,4-oxadiazole
SMILESCOc1ccc(OCc2noc(CN3CCCc4cc(C)ccc43)n2)cc1
InChIInChI=1S/C21H23N3O3/c1-15-5-10-19-16(12-15)4-3-11-24(19)13-21-22-20(23-27-21)14-26-18-8-6-17(25-2)7-9-18/h5-10,12H,3-4,11,13-14H2,1-2H3
InChIKeyDCIWDKCYMDGSOJ-UHFFFAOYSA-N
MW365.43 g/mol
LogP3.92
Rot. Bonds6

About 3-[(4-methoxyphenoxy)methyl]-5-[(6-methyl-3,4-dihydro-2H-quinolin-1-yl)methyl]-1,2,4-oxadiazole

3-[(4-methoxyphenoxy)methyl]-5-[(6-methyl-3,4-dihydro-2H-quinolin-1-yl)methyl]-1,2,4-oxadiazole (PubChem CID 24585745) has the molecular formula C21H23N3O3 and a molecular weight of 365.43 g/mol. Its IUPAC name is 3-[(4-methoxyphenoxy)methyl]-5-[(6-methyl-3,4-dihydro-2H-quinolin-1-yl)methyl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-[(4-methoxyphenoxy)methyl]-5-[(6-methyl-3,4-dihydro-2H-quinolin-1-yl)methyl]-1,2,4-oxadiazole
PubChem CID24585745
Molecular FormulaC21H23N3O3
Molecular Weight365.43 g/mol
Exact Mass365.17
IUPAC Name3-[(4-methoxyphenoxy)methyl]-5-[(6-methyl-3,4-dihydro-2H-quinolin-1-yl)methyl]-1,2,4-oxadiazole
SMILESCOc1ccc(OCc2noc(CN3CCCc4cc(C)ccc43)n2)cc1
InChIInChI=1S/C21H23N3O3/c1-15-5-10-19-16(12-15)4-3-11-24(19)13-21-22-20(23-27-21)14-26-18-8-6-17(25-2)7-9-18/h5-10,12H,3-4,11,13-14H2,1-2H3
InChIKeyDCIWDKCYMDGSOJ-UHFFFAOYSA-N
XLogP3.92
TPSA60.62 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.43
LogP ≤ 53.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[(4-methoxyphenoxy)methyl]-5-[(6-methyl-3,4-dihydro-2H-quinolin-1-yl)methyl]-1,2,4-oxadiazole?
The IUPAC name of 3-[(4-methoxyphenoxy)methyl]-5-[(6-methyl-3,4-dihydro-2H-quinolin-1-yl)methyl]-1,2,4-oxadiazole (CID 24585745) is 3-[(4-methoxyphenoxy)methyl]-5-[(6-methyl-3,4-dihydro-2H-quinolin-1-yl)methyl]-1,2,4-oxadiazole.
What is the SMILES notation for 3-[(4-methoxyphenoxy)methyl]-5-[(6-methyl-3,4-dihydro-2H-quinolin-1-yl)methyl]-1,2,4-oxadiazole?
The canonical SMILES for 3-[(4-methoxyphenoxy)methyl]-5-[(6-methyl-3,4-dihydro-2H-quinolin-1-yl)methyl]-1,2,4-oxadiazole is COc1ccc(OCc2noc(CN3CCCc4cc(C)ccc43)n2)cc1.
What is the InChIKey of 3-[(4-methoxyphenoxy)methyl]-5-[(6-methyl-3,4-dihydro-2H-quinolin-1-yl)methyl]-1,2,4-oxadiazole?
The InChIKey is DCIWDKCYMDGSOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O3/c1-15-5-10-19-16(12-15)4-3-11-24(19)13-21-22-20(23-27-21)14-26-18-8-6-17(25-2)7-9-18/h5-10,12H,3-4,11,13-14H2,1-2H3.
What are the key properties of 3-[(4-methoxyphenoxy)methyl]-5-[(6-methyl-3,4-dihydro-2H-quinolin-1-yl)methyl]-1,2,4-oxadiazole?
3-[(4-methoxyphenoxy)methyl]-5-[(6-methyl-3,4-dihydro-2H-quinolin-1-yl)methyl]-1,2,4-oxadiazole has a molecular weight of 365.43 g/mol, XLogP of 3.92, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-methoxyphenoxy)methyl]-5-[(6-methyl-3,4-dihydro-2H-quinolin-1-yl)methyl]-1,2,4-oxadiazole is sourced from PubChem (CID 24585745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).