5-[(2-bromophenoxy)methyl]-3-thiophen-2-yl-1,2,4-oxadiazole

C13H9BrN2O2S — CID 18775782

IUPAC5-[(2-bromophenoxy)methyl]-3-thiophen-2-yl-1,2,4-oxadiazole
SMILESBrc1ccccc1OCc1nc(-c2cccs2)no1
InChIInChI=1S/C13H9BrN2O2S/c14-9-4-1-2-5-10(9)17-8-12-15-13(16-18-12)11-6-3-7-19-11/h1-7H,8H2
InChIKeyLBFOYNDRTGWGAA-UHFFFAOYSA-N
MW337.20 g/mol
LogP4.14
Rot. Bonds4

About 5-[(2-bromophenoxy)methyl]-3-thiophen-2-yl-1,2,4-oxadiazole

5-[(2-bromophenoxy)methyl]-3-thiophen-2-yl-1,2,4-oxadiazole (PubChem CID 18775782) has the molecular formula C13H9BrN2O2S and a molecular weight of 337.20 g/mol. Its IUPAC name is 5-[(2-bromophenoxy)methyl]-3-thiophen-2-yl-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-[(2-bromophenoxy)methyl]-3-thiophen-2-yl-1,2,4-oxadiazole
PubChem CID18775782
Molecular FormulaC13H9BrN2O2S
Molecular Weight337.20 g/mol
Exact Mass335.96
IUPAC Name5-[(2-bromophenoxy)methyl]-3-thiophen-2-yl-1,2,4-oxadiazole
SMILESBrc1ccccc1OCc1nc(-c2cccs2)no1
InChIInChI=1S/C13H9BrN2O2S/c14-9-4-1-2-5-10(9)17-8-12-15-13(16-18-12)11-6-3-7-19-11/h1-7H,8H2
InChIKeyLBFOYNDRTGWGAA-UHFFFAOYSA-N
XLogP4.14
TPSA48.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.20
LogP ≤ 54.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

5-[(2-chlorophenoxy)methyl]-3-thiophen-2-yl-1,2,4-oxadiazole
CID 718906
5-[(2-bromo-4-chlorophenoxy)methyl]-3-thiophen-2-yl-1,2,4-oxadiazole
CID 8533692
5-[(2,3-dichlorophenoxy)methyl]-3-thiophen-2-yl-1,2,4-oxadiazole
CID 8515424
5-[(2-chloro-4-fluorophenoxy)methyl]-3-thiophen-2-yl-1,2,4-oxadiazole
CID 9138008
N-phenyl-2-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methoxy]benzamide
CID 18099530
3-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methoxy]pyridine-4-carboxylic acid
CID 81440001
5-[(2-bromophenoxy)methyl]-3-ethyl-1,2,4-oxadiazole
CID 28782458
(2R)-2-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methoxy]propanoic acid
CID 104875022
5-[(5-methyl-2-nitrophenoxy)methyl]-3-thiophen-2-yl-1,2,4-oxadiazole
CID 36632101
5-(1,3-benzodioxol-5-yloxymethyl)-3-thiophen-2-yl-1,2,4-oxadiazole
CID 9137704
3-(2-methoxyphenyl)-5-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methylsulfonylmethyl]-1,2,4-oxadiazole
CID 86926216
(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl 3-methoxy-4-phenylmethoxybenzoate
CID 55356009

Frequently Asked Questions

What is the IUPAC name of 5-[(2-bromophenoxy)methyl]-3-thiophen-2-yl-1,2,4-oxadiazole?
The IUPAC name of 5-[(2-bromophenoxy)methyl]-3-thiophen-2-yl-1,2,4-oxadiazole (CID 18775782) is 5-[(2-bromophenoxy)methyl]-3-thiophen-2-yl-1,2,4-oxadiazole.
What is the SMILES notation for 5-[(2-bromophenoxy)methyl]-3-thiophen-2-yl-1,2,4-oxadiazole?
The canonical SMILES for 5-[(2-bromophenoxy)methyl]-3-thiophen-2-yl-1,2,4-oxadiazole is Brc1ccccc1OCc1nc(-c2cccs2)no1.
What is the InChIKey of 5-[(2-bromophenoxy)methyl]-3-thiophen-2-yl-1,2,4-oxadiazole?
The InChIKey is LBFOYNDRTGWGAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9BrN2O2S/c14-9-4-1-2-5-10(9)17-8-12-15-13(16-18-12)11-6-3-7-19-11/h1-7H,8H2.
What are the key properties of 5-[(2-bromophenoxy)methyl]-3-thiophen-2-yl-1,2,4-oxadiazole?
5-[(2-bromophenoxy)methyl]-3-thiophen-2-yl-1,2,4-oxadiazole has a molecular weight of 337.20 g/mol, XLogP of 4.14, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-bromophenoxy)methyl]-3-thiophen-2-yl-1,2,4-oxadiazole is sourced from PubChem (CID 18775782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).