5-[(7-methylquinolin-8-yl)oxymethyl]-3-(phenoxymethyl)-1,2,4-oxadiazole

C20H17N3O3 — CID 56896444

IUPAC5-[(7-methylquinolin-8-yl)oxymethyl]-3-(phenoxymethyl)-1,2,4-oxadiazole
SMILESCc1ccc2cccnc2c1OCc1nc(COc2ccccc2)no1
InChIInChI=1S/C20H17N3O3/c1-14-9-10-15-6-5-11-21-19(15)20(14)25-13-18-22-17(23-26-18)12-24-16-7-3-2-4-8-16/h2-11H,12-13H2,1H3
InChIKeyPRMLIWYQLIEPRN-UHFFFAOYSA-N
MW347.37 g/mol
LogP4.08
Rot. Bonds6

About 5-[(7-methylquinolin-8-yl)oxymethyl]-3-(phenoxymethyl)-1,2,4-oxadiazole

5-[(7-methylquinolin-8-yl)oxymethyl]-3-(phenoxymethyl)-1,2,4-oxadiazole (PubChem CID 56896444) has the molecular formula C20H17N3O3 and a molecular weight of 347.37 g/mol. Its IUPAC name is 5-[(7-methylquinolin-8-yl)oxymethyl]-3-(phenoxymethyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-[(7-methylquinolin-8-yl)oxymethyl]-3-(phenoxymethyl)-1,2,4-oxadiazole
PubChem CID56896444
Molecular FormulaC20H17N3O3
Molecular Weight347.37 g/mol
Exact Mass347.13
IUPAC Name5-[(7-methylquinolin-8-yl)oxymethyl]-3-(phenoxymethyl)-1,2,4-oxadiazole
SMILESCc1ccc2cccnc2c1OCc1nc(COc2ccccc2)no1
InChIInChI=1S/C20H17N3O3/c1-14-9-10-15-6-5-11-21-19(15)20(14)25-13-18-22-17(23-26-18)12-24-16-7-3-2-4-8-16/h2-11H,12-13H2,1H3
InChIKeyPRMLIWYQLIEPRN-UHFFFAOYSA-N
XLogP4.08
TPSA70.27 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.37
LogP ≤ 54.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

5-[(2-methoxy-5-methylphenoxy)methyl]-3-(phenoxymethyl)-1,2,4-oxadiazole
CID 56897566
5-(2-chloroethyl)-3-(phenoxymethyl)-1,2,4-oxadiazole
CID 62717373
4-[[3-(phenoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]phenol
CID 63845067
2-[5-(phenoxymethyl)-1,2,4-oxadiazol-3-yl]acetonitrile
CID 82284630
1-[[3-(phenoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]pyrazol-4-amine
CID 62717203
N-methyl-4-[3-(phenoxymethyl)-1,2,4-oxadiazol-5-yl]butan-2-amine
CID 63351995
5-(phenoxymethyl)-3-pyridin-2-yl-1,2,4-oxadiazole
CID 880364
2-(phenoxymethyl)-5-(quinolin-8-yloxymethyl)-1,3,4-oxadiazole
CID 110656016
2-methyl-5-[3-(phenoxymethyl)-1,2,4-oxadiazol-5-yl]phenol
CID 63844897
bis[(7-methylquinolin-8-yl)oxy]alumanyloxy-bis[(7-methylquinolin-8-yl)oxy]alumane
CID 20678135
3-[(2,6-dimethylphenoxy)methyl]-5-methyl-1,2,4-oxadiazole
CID 78953139
3-(phenoxymethyl)-5-[(4-pyridin-2-ylpiperazin-1-yl)methyl]-1,2,4-oxadiazole
CID 29026870

Frequently Asked Questions

What is the IUPAC name of 5-[(7-methylquinolin-8-yl)oxymethyl]-3-(phenoxymethyl)-1,2,4-oxadiazole?
The IUPAC name of 5-[(7-methylquinolin-8-yl)oxymethyl]-3-(phenoxymethyl)-1,2,4-oxadiazole (CID 56896444) is 5-[(7-methylquinolin-8-yl)oxymethyl]-3-(phenoxymethyl)-1,2,4-oxadiazole.
What is the SMILES notation for 5-[(7-methylquinolin-8-yl)oxymethyl]-3-(phenoxymethyl)-1,2,4-oxadiazole?
The canonical SMILES for 5-[(7-methylquinolin-8-yl)oxymethyl]-3-(phenoxymethyl)-1,2,4-oxadiazole is Cc1ccc2cccnc2c1OCc1nc(COc2ccccc2)no1.
What is the InChIKey of 5-[(7-methylquinolin-8-yl)oxymethyl]-3-(phenoxymethyl)-1,2,4-oxadiazole?
The InChIKey is PRMLIWYQLIEPRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N3O3/c1-14-9-10-15-6-5-11-21-19(15)20(14)25-13-18-22-17(23-26-18)12-24-16-7-3-2-4-8-16/h2-11H,12-13H2,1H3.
What are the key properties of 5-[(7-methylquinolin-8-yl)oxymethyl]-3-(phenoxymethyl)-1,2,4-oxadiazole?
5-[(7-methylquinolin-8-yl)oxymethyl]-3-(phenoxymethyl)-1,2,4-oxadiazole has a molecular weight of 347.37 g/mol, XLogP of 4.08, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(7-methylquinolin-8-yl)oxymethyl]-3-(phenoxymethyl)-1,2,4-oxadiazole is sourced from PubChem (CID 56896444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).