2-(phenoxymethyl)-5-(quinolin-8-yloxymethyl)-1,3,4-oxadiazole

C19H15N3O3 — CID 110656016

IUPAC2-(phenoxymethyl)-5-(quinolin-8-yloxymethyl)-1,3,4-oxadiazole
SMILESc1ccc(OCc2nnc(COc3cccc4cccnc34)o2)cc1
InChIInChI=1S/C19H15N3O3/c1-2-8-15(9-3-1)23-12-17-21-22-18(25-17)13-24-16-10-4-6-14-7-5-11-20-19(14)16/h1-11H,12-13H2
InChIKeyUVGMTBHXMUHSLY-UHFFFAOYSA-N
MW333.35 g/mol
LogP3.78
Rot. Bonds6

About 2-(phenoxymethyl)-5-(quinolin-8-yloxymethyl)-1,3,4-oxadiazole

2-(phenoxymethyl)-5-(quinolin-8-yloxymethyl)-1,3,4-oxadiazole (PubChem CID 110656016) has the molecular formula C19H15N3O3 and a molecular weight of 333.35 g/mol. Its IUPAC name is 2-(phenoxymethyl)-5-(quinolin-8-yloxymethyl)-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-(phenoxymethyl)-5-(quinolin-8-yloxymethyl)-1,3,4-oxadiazole
PubChem CID110656016
Molecular FormulaC19H15N3O3
Molecular Weight333.35 g/mol
Exact Mass333.11
IUPAC Name2-(phenoxymethyl)-5-(quinolin-8-yloxymethyl)-1,3,4-oxadiazole
SMILESc1ccc(OCc2nnc(COc3cccc4cccnc34)o2)cc1
InChIInChI=1S/C19H15N3O3/c1-2-8-15(9-3-1)23-12-17-21-22-18(25-17)13-24-16-10-4-6-14-7-5-11-20-19(14)16/h1-11H,12-13H2
InChIKeyUVGMTBHXMUHSLY-UHFFFAOYSA-N
XLogP3.78
TPSA70.27 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.35
LogP ≤ 53.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-(4-bromophenyl)-5-(quinolin-8-yloxymethyl)-1,3,4-oxadiazole
CID 9320315
2-[[5-(quinolin-8-yloxymethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
CID 859157
2-(phenoxymethyl)-5-[(4-phenoxyphenoxy)methyl]-1,3,4-oxadiazole
CID 110656017
2-(phenoxymethyl)-5-[6-[5-(phenoxymethyl)-1,3,4-oxadiazol-2-yl]hexyl]-1,3,4-oxadiazole
CID 11259075
2-[(3-chlorophenoxy)methyl]-5-(phenoxymethyl)-1,3,4-oxadiazole
CID 110655988
2-(phenoxymethyl)-5-(pyridin-2-ylsulfanylmethyl)-1,3,4-oxadiazole
CID 110656609
8-[(2-chlorophenyl)methoxy]quinoline
CID 2110324
[2-(quinolin-8-yloxymethyl)phenyl]methanamine
CID 28824796
2-[(2,5-dichlorophenoxy)methyl]-5-(phenoxymethyl)-1,3,4-oxadiazole
CID 110656023
8-(chloromethoxy)quinoline
CID 79531226
2-benzyl-5-[(2,3-dichlorophenoxy)methyl]-1,3,4-oxadiazole
CID 110655983
6-(quinolin-8-yloxymethyl)pyridine-2-carboxylic acid
CID 106903275

Frequently Asked Questions

What is the IUPAC name of 2-(phenoxymethyl)-5-(quinolin-8-yloxymethyl)-1,3,4-oxadiazole?
The IUPAC name of 2-(phenoxymethyl)-5-(quinolin-8-yloxymethyl)-1,3,4-oxadiazole (CID 110656016) is 2-(phenoxymethyl)-5-(quinolin-8-yloxymethyl)-1,3,4-oxadiazole.
What is the SMILES notation for 2-(phenoxymethyl)-5-(quinolin-8-yloxymethyl)-1,3,4-oxadiazole?
The canonical SMILES for 2-(phenoxymethyl)-5-(quinolin-8-yloxymethyl)-1,3,4-oxadiazole is c1ccc(OCc2nnc(COc3cccc4cccnc34)o2)cc1.
What is the InChIKey of 2-(phenoxymethyl)-5-(quinolin-8-yloxymethyl)-1,3,4-oxadiazole?
The InChIKey is UVGMTBHXMUHSLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15N3O3/c1-2-8-15(9-3-1)23-12-17-21-22-18(25-17)13-24-16-10-4-6-14-7-5-11-20-19(14)16/h1-11H,12-13H2.
What are the key properties of 2-(phenoxymethyl)-5-(quinolin-8-yloxymethyl)-1,3,4-oxadiazole?
2-(phenoxymethyl)-5-(quinolin-8-yloxymethyl)-1,3,4-oxadiazole has a molecular weight of 333.35 g/mol, XLogP of 3.78, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(phenoxymethyl)-5-(quinolin-8-yloxymethyl)-1,3,4-oxadiazole is sourced from PubChem (CID 110656016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).