2-[2-(4-bromophenoxy)ethyl]-5-phenyl-1,3,4-oxadiazole

C16H13BrN2O2 — CID 110656038

IUPAC2-[2-(4-bromophenoxy)ethyl]-5-phenyl-1,3,4-oxadiazole
SMILESBrc1ccc(OCCc2nnc(-c3ccccc3)o2)cc1
InChIInChI=1S/C16H13BrN2O2/c17-13-6-8-14(9-7-13)20-11-10-15-18-19-16(21-15)12-4-2-1-3-5-12/h1-9H,10-11H2
InChIKeyZXXZOVDUXBXSLF-UHFFFAOYSA-N
MW345.20 g/mol
LogP4.12
Rot. Bonds5

About 2-[2-(4-bromophenoxy)ethyl]-5-phenyl-1,3,4-oxadiazole

2-[2-(4-bromophenoxy)ethyl]-5-phenyl-1,3,4-oxadiazole (PubChem CID 110656038) has the molecular formula C16H13BrN2O2 and a molecular weight of 345.20 g/mol. Its IUPAC name is 2-[2-(4-bromophenoxy)ethyl]-5-phenyl-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-[2-(4-bromophenoxy)ethyl]-5-phenyl-1,3,4-oxadiazole
PubChem CID110656038
Molecular FormulaC16H13BrN2O2
Molecular Weight345.20 g/mol
Exact Mass344.02
IUPAC Name2-[2-(4-bromophenoxy)ethyl]-5-phenyl-1,3,4-oxadiazole
SMILESBrc1ccc(OCCc2nnc(-c3ccccc3)o2)cc1
InChIInChI=1S/C16H13BrN2O2/c17-13-6-8-14(9-7-13)20-11-10-15-18-19-16(21-15)12-4-2-1-3-5-12/h1-9H,10-11H2
InChIKeyZXXZOVDUXBXSLF-UHFFFAOYSA-N
XLogP4.12
TPSA48.15 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.20
LogP ≤ 54.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-phenoxyethyl)-5-phenyl-1,3,4-oxadiazole
CID 110656027
2-[(4-bromophenoxy)methyl]-5-phenyl-1,3,4-oxadiazole
CID 18859382
2-[2-(3-chlorophenoxy)ethyl]-5-phenyl-1,3,4-oxadiazole
CID 110656035
2-[4-(4-chlorobutoxy)phenyl]-5-phenyl-1,3,4-oxadiazole
CID 71406447
2-phenyl-5-propyl-1,3,4-oxadiazole
CID 14949000
2-(2-chloroethyl)-5-phenyl-1,3,4-oxadiazole
CID 39242176
N,N-dimethyl-3-[4-[5-(7-phenylheptyl)-1,3,4-oxadiazol-2-yl]phenoxy]propan-1-amine
CID 21108907
2-[2-(2-chloro-5-methylphenoxy)ethyl]-5-phenyl-1,3,4-oxadiazole
CID 110656079
2-(4-bromophenyl)-5-[(4-phenyl-1,3-thiazol-2-yl)sulfanylmethyl]-1,3,4-oxadiazole
CID 29351676
2-(4-methoxyphenyl)-5-(2-phenoxyethylsulfanylmethyl)-1,3,4-oxadiazole
CID 142831314
[5-(4-bromophenyl)-1,3,4-oxadiazol-2-yl]methanethiol
CID 82160182
[5-(4-bromophenyl)-1,3,4-oxadiazol-2-yl]methyl 2-(phenoxymethyl)benzoate
CID 16520769

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-bromophenoxy)ethyl]-5-phenyl-1,3,4-oxadiazole?
The IUPAC name of 2-[2-(4-bromophenoxy)ethyl]-5-phenyl-1,3,4-oxadiazole (CID 110656038) is 2-[2-(4-bromophenoxy)ethyl]-5-phenyl-1,3,4-oxadiazole.
What is the SMILES notation for 2-[2-(4-bromophenoxy)ethyl]-5-phenyl-1,3,4-oxadiazole?
The canonical SMILES for 2-[2-(4-bromophenoxy)ethyl]-5-phenyl-1,3,4-oxadiazole is Brc1ccc(OCCc2nnc(-c3ccccc3)o2)cc1.
What is the InChIKey of 2-[2-(4-bromophenoxy)ethyl]-5-phenyl-1,3,4-oxadiazole?
The InChIKey is ZXXZOVDUXBXSLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13BrN2O2/c17-13-6-8-14(9-7-13)20-11-10-15-18-19-16(21-15)12-4-2-1-3-5-12/h1-9H,10-11H2.
What are the key properties of 2-[2-(4-bromophenoxy)ethyl]-5-phenyl-1,3,4-oxadiazole?
2-[2-(4-bromophenoxy)ethyl]-5-phenyl-1,3,4-oxadiazole has a molecular weight of 345.20 g/mol, XLogP of 4.12, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-bromophenoxy)ethyl]-5-phenyl-1,3,4-oxadiazole is sourced from PubChem (CID 110656038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).