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

C16H13BrN2O2 — CID 7894295

IUPAC2-(2-bromophenyl)-5-[(3-methylphenoxy)methyl]-1,3,4-oxadiazole
SMILESCc1cccc(OCc2nnc(-c3ccccc3Br)o2)c1
InChIInChI=1S/C16H13BrN2O2/c1-11-5-4-6-12(9-11)20-10-15-18-19-16(21-15)13-7-2-3-8-14(13)17/h2-9H,10H2,1H3
InChIKeyWUPNUQBDAXNINT-UHFFFAOYSA-N
MW345.20 g/mol
LogP4.39
Rot. Bonds4

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

2-(2-bromophenyl)-5-[(3-methylphenoxy)methyl]-1,3,4-oxadiazole (PubChem CID 7894295) has the molecular formula C16H13BrN2O2 and a molecular weight of 345.20 g/mol. Its IUPAC name is 2-(2-bromophenyl)-5-[(3-methylphenoxy)methyl]-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-(2-bromophenyl)-5-[(3-methylphenoxy)methyl]-1,3,4-oxadiazole
PubChem CID7894295
Molecular FormulaC16H13BrN2O2
Molecular Weight345.20 g/mol
Exact Mass344.02
IUPAC Name2-(2-bromophenyl)-5-[(3-methylphenoxy)methyl]-1,3,4-oxadiazole
SMILESCc1cccc(OCc2nnc(-c3ccccc3Br)o2)c1
InChIInChI=1S/C16H13BrN2O2/c1-11-5-4-6-12(9-11)20-10-15-18-19-16(21-15)13-7-2-3-8-14(13)17/h2-9H,10H2,1H3
InChIKeyWUPNUQBDAXNINT-UHFFFAOYSA-N
XLogP4.39
TPSA48.15 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.20
LogP ≤ 54.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(3-bromophenoxy)methyl]-5-(2-bromophenyl)-1,3,4-oxadiazole
CID 7894332
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-(3-methylphenyl)-5-[(4-phenoxyphenoxy)methyl]-1,3,4-oxadiazole
CID 110655626
2-[(3,4-dichlorophenoxy)methyl]-5-(2-methylphenyl)-1,3,4-oxadiazole
CID 110655671
2-(2,4-dichlorophenyl)-5-[[5-[(3-methylphenoxy)methyl]-1,3,4-oxadiazol-2-yl]sulfanylmethyl]-1,3,4-oxadiazole
CID 60583316
3-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methoxy]-N,N-dimethylaniline
CID 110655686
2-(2-bromophenyl)-5-(quinazolin-4-yloxymethyl)-1,3,4-oxadiazole
CID 2104338
2-[(2-bromo-4-methylphenoxy)methyl]-5-phenyl-1,3,4-oxadiazole
CID 16583524
2-[[5-[(3-methylphenoxy)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]ethanamine
CID 39364627
2-[(3-bromophenyl)methylsulfanyl]-5-[(3-methylphenoxy)methyl]-1,3,4-oxadiazole
CID 29385919
(5-phenyl-1,3,4-oxadiazol-2-yl)methyl 2-(3-methylphenoxy)acetate
CID 7853413

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromophenyl)-5-[(3-methylphenoxy)methyl]-1,3,4-oxadiazole?
The IUPAC name of 2-(2-bromophenyl)-5-[(3-methylphenoxy)methyl]-1,3,4-oxadiazole (CID 7894295) is 2-(2-bromophenyl)-5-[(3-methylphenoxy)methyl]-1,3,4-oxadiazole.
What is the SMILES notation for 2-(2-bromophenyl)-5-[(3-methylphenoxy)methyl]-1,3,4-oxadiazole?
The canonical SMILES for 2-(2-bromophenyl)-5-[(3-methylphenoxy)methyl]-1,3,4-oxadiazole is Cc1cccc(OCc2nnc(-c3ccccc3Br)o2)c1.
What is the InChIKey of 2-(2-bromophenyl)-5-[(3-methylphenoxy)methyl]-1,3,4-oxadiazole?
The InChIKey is WUPNUQBDAXNINT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13BrN2O2/c1-11-5-4-6-12(9-11)20-10-15-18-19-16(21-15)13-7-2-3-8-14(13)17/h2-9H,10H2,1H3.
What are the key properties of 2-(2-bromophenyl)-5-[(3-methylphenoxy)methyl]-1,3,4-oxadiazole?
2-(2-bromophenyl)-5-[(3-methylphenoxy)methyl]-1,3,4-oxadiazole has a molecular weight of 345.20 g/mol, XLogP of 4.39, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromophenyl)-5-[(3-methylphenoxy)methyl]-1,3,4-oxadiazole is sourced from PubChem (CID 7894295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).