2-(2-bromophenyl)-5-[(3,5-dimethoxyphenoxy)methyl]-1,3,4-oxadiazole

C17H15BrN2O4 — CID 7713933

IUPAC2-(2-bromophenyl)-5-[(3,5-dimethoxyphenoxy)methyl]-1,3,4-oxadiazole
SMILESCOc1cc(OC)cc(OCc2nnc(-c3ccccc3Br)o2)c1
InChIInChI=1S/C17H15BrN2O4/c1-21-11-7-12(22-2)9-13(8-11)23-10-16-19-20-17(24-16)14-5-3-4-6-15(14)18/h3-9H,10H2,1-2H3
InChIKeyPAWDWCLSXCRZHS-UHFFFAOYSA-N
MW391.22 g/mol
LogP4.10
Rot. Bonds6

About 2-(2-bromophenyl)-5-[(3,5-dimethoxyphenoxy)methyl]-1,3,4-oxadiazole

2-(2-bromophenyl)-5-[(3,5-dimethoxyphenoxy)methyl]-1,3,4-oxadiazole (PubChem CID 7713933) has the molecular formula C17H15BrN2O4 and a molecular weight of 391.22 g/mol. Its IUPAC name is 2-(2-bromophenyl)-5-[(3,5-dimethoxyphenoxy)methyl]-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-(2-bromophenyl)-5-[(3,5-dimethoxyphenoxy)methyl]-1,3,4-oxadiazole
PubChem CID7713933
Molecular FormulaC17H15BrN2O4
Molecular Weight391.22 g/mol
Exact Mass390.02
IUPAC Name2-(2-bromophenyl)-5-[(3,5-dimethoxyphenoxy)methyl]-1,3,4-oxadiazole
SMILESCOc1cc(OC)cc(OCc2nnc(-c3ccccc3Br)o2)c1
InChIInChI=1S/C17H15BrN2O4/c1-21-11-7-12(22-2)9-13(8-11)23-10-16-19-20-17(24-16)14-5-3-4-6-15(14)18/h3-9H,10H2,1-2H3
InChIKeyPAWDWCLSXCRZHS-UHFFFAOYSA-N
XLogP4.10
TPSA66.61 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.22
LogP ≤ 54.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-(2-bromophenyl)-5-[(3-methylphenoxy)methyl]-1,3,4-oxadiazole
CID 7894295
2-[(3-bromophenoxy)methyl]-5-(2-bromophenyl)-1,3,4-oxadiazole
CID 7894332
2-[(2-bromophenoxy)methyl]-5-(3-methoxyphenyl)-1,3,4-oxadiazole
CID 110655809
[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]methyl 2,6-dimethoxybenzoate
CID 4829023
2-(2-bromophenyl)-5-(quinazolin-4-yloxymethyl)-1,3,4-oxadiazole
CID 2104338
2-(2-bromophenyl)-5-[(2-nitrophenoxy)methyl]-1,3,4-oxadiazole
CID 7894357
2-(2-bromophenyl)-5-[[5-(3,4-dimethoxyphenyl)thieno[2,3-d]pyrimidin-4-yl]oxymethyl]-1,3,4-oxadiazole
CID 2529005
[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]methyl benzoate
CID 2516937
2-(2-methoxyphenyl)-5-[(4-methylsulfanylphenoxy)methyl]-1,3,4-oxadiazole
CID 23660819
2-[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]ethanethiol
CID 82160241
N-[[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-methyl-2-phenoxyethanamine
CID 31319686
2-(3,4-dimethoxyphenyl)-5-[(3-methoxyphenoxy)methyl]-1,3,4-oxadiazole
CID 110655896

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromophenyl)-5-[(3,5-dimethoxyphenoxy)methyl]-1,3,4-oxadiazole?
The IUPAC name of 2-(2-bromophenyl)-5-[(3,5-dimethoxyphenoxy)methyl]-1,3,4-oxadiazole (CID 7713933) is 2-(2-bromophenyl)-5-[(3,5-dimethoxyphenoxy)methyl]-1,3,4-oxadiazole.
What is the SMILES notation for 2-(2-bromophenyl)-5-[(3,5-dimethoxyphenoxy)methyl]-1,3,4-oxadiazole?
The canonical SMILES for 2-(2-bromophenyl)-5-[(3,5-dimethoxyphenoxy)methyl]-1,3,4-oxadiazole is COc1cc(OC)cc(OCc2nnc(-c3ccccc3Br)o2)c1.
What is the InChIKey of 2-(2-bromophenyl)-5-[(3,5-dimethoxyphenoxy)methyl]-1,3,4-oxadiazole?
The InChIKey is PAWDWCLSXCRZHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15BrN2O4/c1-21-11-7-12(22-2)9-13(8-11)23-10-16-19-20-17(24-16)14-5-3-4-6-15(14)18/h3-9H,10H2,1-2H3.
What are the key properties of 2-(2-bromophenyl)-5-[(3,5-dimethoxyphenoxy)methyl]-1,3,4-oxadiazole?
2-(2-bromophenyl)-5-[(3,5-dimethoxyphenoxy)methyl]-1,3,4-oxadiazole has a molecular weight of 391.22 g/mol, XLogP of 4.10, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromophenyl)-5-[(3,5-dimethoxyphenoxy)methyl]-1,3,4-oxadiazole is sourced from PubChem (CID 7713933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).