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

C15H10Br2N2O2 — CID 7894332

IUPAC2-[(3-bromophenoxy)methyl]-5-(2-bromophenyl)-1,3,4-oxadiazole
SMILESBrc1cccc(OCc2nnc(-c3ccccc3Br)o2)c1
InChIInChI=1S/C15H10Br2N2O2/c16-10-4-3-5-11(8-10)20-9-14-18-19-15(21-14)12-6-1-2-7-13(12)17/h1-8H,9H2
InChIKeyDFBCXKCCNPIFCT-UHFFFAOYSA-N
MW410.07 g/mol
LogP4.84
Rot. Bonds4

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

2-[(3-bromophenoxy)methyl]-5-(2-bromophenyl)-1,3,4-oxadiazole (PubChem CID 7894332) has the molecular formula C15H10Br2N2O2 and a molecular weight of 410.07 g/mol. Its IUPAC name is 2-[(3-bromophenoxy)methyl]-5-(2-bromophenyl)-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-[(3-bromophenoxy)methyl]-5-(2-bromophenyl)-1,3,4-oxadiazole
PubChem CID7894332
Molecular FormulaC15H10Br2N2O2
Molecular Weight410.07 g/mol
Exact Mass407.91
IUPAC Name2-[(3-bromophenoxy)methyl]-5-(2-bromophenyl)-1,3,4-oxadiazole
SMILESBrc1cccc(OCc2nnc(-c3ccccc3Br)o2)c1
InChIInChI=1S/C15H10Br2N2O2/c16-10-4-3-5-11(8-10)20-9-14-18-19-15(21-14)12-6-1-2-7-13(12)17/h1-8H,9H2
InChIKeyDFBCXKCCNPIFCT-UHFFFAOYSA-N
XLogP4.84
TPSA48.15 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.07
LogP ≤ 54.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-bromophenyl)-5-[(3-methylphenoxy)methyl]-1,3,4-oxadiazole
CID 7894295
2-(2-bromophenyl)-5-[(3,5-dimethoxyphenoxy)methyl]-1,3,4-oxadiazole
CID 7713933
2-[(3-chlorophenoxy)methyl]-5-(2-methylphenyl)-1,3,4-oxadiazole
CID 110655637
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
3-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methoxy]-N,N-dimethylaniline
CID 110655686
[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]methyl benzoate
CID 2516937
2-[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]ethanethiol
CID 82160241
2-[(4-bromophenoxy)methyl]-5-phenyl-1,3,4-oxadiazole
CID 18859382
N-[[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-methyl-2-phenoxyethanamine
CID 31319686
2-[(2-bromophenoxy)methyl]-5-(3-methoxyphenyl)-1,3,4-oxadiazole
CID 110655809
2-[(3,4-dichlorophenoxy)methyl]-5-(2-methylphenyl)-1,3,4-oxadiazole
CID 110655671

Frequently Asked Questions

What is the IUPAC name of 2-[(3-bromophenoxy)methyl]-5-(2-bromophenyl)-1,3,4-oxadiazole?
The IUPAC name of 2-[(3-bromophenoxy)methyl]-5-(2-bromophenyl)-1,3,4-oxadiazole (CID 7894332) is 2-[(3-bromophenoxy)methyl]-5-(2-bromophenyl)-1,3,4-oxadiazole.
What is the SMILES notation for 2-[(3-bromophenoxy)methyl]-5-(2-bromophenyl)-1,3,4-oxadiazole?
The canonical SMILES for 2-[(3-bromophenoxy)methyl]-5-(2-bromophenyl)-1,3,4-oxadiazole is Brc1cccc(OCc2nnc(-c3ccccc3Br)o2)c1.
What is the InChIKey of 2-[(3-bromophenoxy)methyl]-5-(2-bromophenyl)-1,3,4-oxadiazole?
The InChIKey is DFBCXKCCNPIFCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10Br2N2O2/c16-10-4-3-5-11(8-10)20-9-14-18-19-15(21-14)12-6-1-2-7-13(12)17/h1-8H,9H2.
What are the key properties of 2-[(3-bromophenoxy)methyl]-5-(2-bromophenyl)-1,3,4-oxadiazole?
2-[(3-bromophenoxy)methyl]-5-(2-bromophenyl)-1,3,4-oxadiazole has a molecular weight of 410.07 g/mol, XLogP of 4.84, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-bromophenoxy)methyl]-5-(2-bromophenyl)-1,3,4-oxadiazole is sourced from PubChem (CID 7894332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).