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

C18H12BrN3O2 — CID 9320315

IUPAC2-(4-bromophenyl)-5-(quinolin-8-yloxymethyl)-1,3,4-oxadiazole
SMILESBrc1ccc(-c2nnc(COc3cccc4cccnc34)o2)cc1
InChIInChI=1S/C18H12BrN3O2/c19-14-8-6-13(7-9-14)18-22-21-16(24-18)11-23-15-5-1-3-12-4-2-10-20-17(12)15/h1-10H,11H2
InChIKeyAVVLRWDXYABOIE-UHFFFAOYSA-N
MW382.22 g/mol
LogP4.63
Rot. Bonds4

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

2-(4-bromophenyl)-5-(quinolin-8-yloxymethyl)-1,3,4-oxadiazole (PubChem CID 9320315) has the molecular formula C18H12BrN3O2 and a molecular weight of 382.22 g/mol. Its IUPAC name is 2-(4-bromophenyl)-5-(quinolin-8-yloxymethyl)-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-(4-bromophenyl)-5-(quinolin-8-yloxymethyl)-1,3,4-oxadiazole
PubChem CID9320315
Molecular FormulaC18H12BrN3O2
Molecular Weight382.22 g/mol
Exact Mass381.01
IUPAC Name2-(4-bromophenyl)-5-(quinolin-8-yloxymethyl)-1,3,4-oxadiazole
SMILESBrc1ccc(-c2nnc(COc3cccc4cccnc34)o2)cc1
InChIInChI=1S/C18H12BrN3O2/c19-14-8-6-13(7-9-14)18-22-21-16(24-18)11-23-15-5-1-3-12-4-2-10-20-17(12)15/h1-10H,11H2
InChIKeyAVVLRWDXYABOIE-UHFFFAOYSA-N
XLogP4.63
TPSA61.04 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.22
LogP ≤ 54.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-(phenoxymethyl)-5-(quinolin-8-yloxymethyl)-1,3,4-oxadiazole
CID 110656016
2-[(4-bromophenoxy)methyl]-5-phenyl-1,3,4-oxadiazole
CID 18859382
8-[2-(4-bromophenoxy)ethoxy]quinoline
CID 2289161
2-[[5-(quinolin-8-yloxymethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
CID 859157
2-[(2,3-dichlorophenoxy)methyl]-5-phenyl-1,3,4-oxadiazole
CID 17404310
[5-(4-bromophenyl)-1,3,4-oxadiazol-2-yl]methanethiol
CID 82160182
[5-(4-bromophenyl)-1,3,4-oxadiazol-2-yl]methyl naphthalene-1-carboxylate
CID 7377254
2-[(2-ethoxyphenoxy)methyl]-5-(4-methoxyphenyl)-1,3,4-oxadiazole
CID 110655871
2-[(2-tert-butylphenoxy)methyl]-5-(4-methoxyphenyl)-1,3,4-oxadiazole
CID 110655868
3-(4-methylphenyl)-5-(quinolin-8-yloxymethyl)-1,2,4-oxadiazole;hydrate
CID 139086057
8-(chloromethoxy)quinoline
CID 79531226
2-[(2-tert-butylphenoxy)methyl]-5-phenyl-1,3,4-oxadiazole
CID 110655564

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenyl)-5-(quinolin-8-yloxymethyl)-1,3,4-oxadiazole?
The IUPAC name of 2-(4-bromophenyl)-5-(quinolin-8-yloxymethyl)-1,3,4-oxadiazole (CID 9320315) is 2-(4-bromophenyl)-5-(quinolin-8-yloxymethyl)-1,3,4-oxadiazole.
What is the SMILES notation for 2-(4-bromophenyl)-5-(quinolin-8-yloxymethyl)-1,3,4-oxadiazole?
The canonical SMILES for 2-(4-bromophenyl)-5-(quinolin-8-yloxymethyl)-1,3,4-oxadiazole is Brc1ccc(-c2nnc(COc3cccc4cccnc34)o2)cc1.
What is the InChIKey of 2-(4-bromophenyl)-5-(quinolin-8-yloxymethyl)-1,3,4-oxadiazole?
The InChIKey is AVVLRWDXYABOIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12BrN3O2/c19-14-8-6-13(7-9-14)18-22-21-16(24-18)11-23-15-5-1-3-12-4-2-10-20-17(12)15/h1-10H,11H2.
What are the key properties of 2-(4-bromophenyl)-5-(quinolin-8-yloxymethyl)-1,3,4-oxadiazole?
2-(4-bromophenyl)-5-(quinolin-8-yloxymethyl)-1,3,4-oxadiazole has a molecular weight of 382.22 g/mol, XLogP of 4.63, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenyl)-5-(quinolin-8-yloxymethyl)-1,3,4-oxadiazole is sourced from PubChem (CID 9320315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).