2-bromo-5-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]phenol

C15H11BrN2O2 — CID 104938026

IUPAC2-bromo-5-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]phenol
SMILESCc1ccc(-c2noc(-c3ccc(Br)c(O)c3)n2)cc1
InChIInChI=1S/C15H11BrN2O2/c1-9-2-4-10(5-3-9)14-17-15(20-18-14)11-6-7-12(16)13(19)8-11/h2-8,19H,1H3
InChIKeyDLKBJPCHVKNJDF-UHFFFAOYSA-N
MW331.17 g/mol
LogP4.18
Rot. Bonds2

About 2-bromo-5-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]phenol

2-bromo-5-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]phenol (PubChem CID 104938026) has the molecular formula C15H11BrN2O2 and a molecular weight of 331.17 g/mol. Its IUPAC name is 2-bromo-5-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]phenol.

Molecular Properties

Compound Name2-bromo-5-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]phenol
PubChem CID104938026
Molecular FormulaC15H11BrN2O2
Molecular Weight331.17 g/mol
Exact Mass330.00
IUPAC Name2-bromo-5-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]phenol
SMILESCc1ccc(-c2noc(-c3ccc(Br)c(O)c3)n2)cc1
InChIInChI=1S/C15H11BrN2O2/c1-9-2-4-10(5-3-9)14-17-15(20-18-14)11-6-7-12(16)13(19)8-11/h2-8,19H,1H3
InChIKeyDLKBJPCHVKNJDF-UHFFFAOYSA-N
XLogP4.18
TPSA59.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.17
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-bromo-5-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]phenol
CID 104937985
2-bromo-5-[3-(furan-3-yl)-1,2,4-oxadiazol-5-yl]phenol
CID 107037339
2-methyl-5-(3-phenyl-1,2,4-oxadiazol-5-yl)phenol
CID 63851081
3-(4-bromophenyl)-5-(4-methylphenyl)-1,2,4-oxadiazole
CID 752268
2-methyl-5-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)phenol
CID 63850419
2-methyl-5-[3-(4-methylsulfanylphenyl)-1,2,4-oxadiazol-5-yl]phenol
CID 106850093
2-methyl-5-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]phenol
CID 63850250
2-methyl-5-[3-(6-methyl-3-pyridinyl)-1,2,4-oxadiazol-5-yl]phenol
CID 175178675
2-bromo-5-[3-(2,2-dimethylpropyl)-1,2,4-oxadiazol-5-yl]phenol
CID 104938517
5-(3-chloro-4-methylphenyl)-3-(4-methylphenyl)-1,2,4-oxadiazole
CID 931247
2-bromo-5-[3-(3-ethyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]phenol
CID 104938518
5-[3-(3,5-dichlorophenyl)-1,2,4-oxadiazol-5-yl]-2-methylphenol
CID 107918283

Frequently Asked Questions

What is the IUPAC name of 2-bromo-5-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]phenol?
The IUPAC name of 2-bromo-5-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]phenol (CID 104938026) is 2-bromo-5-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]phenol.
What is the SMILES notation for 2-bromo-5-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]phenol?
The canonical SMILES for 2-bromo-5-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]phenol is Cc1ccc(-c2noc(-c3ccc(Br)c(O)c3)n2)cc1.
What is the InChIKey of 2-bromo-5-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]phenol?
The InChIKey is DLKBJPCHVKNJDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11BrN2O2/c1-9-2-4-10(5-3-9)14-17-15(20-18-14)11-6-7-12(16)13(19)8-11/h2-8,19H,1H3.
What are the key properties of 2-bromo-5-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]phenol?
2-bromo-5-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]phenol has a molecular weight of 331.17 g/mol, XLogP of 4.18, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-5-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]phenol is sourced from PubChem (CID 104938026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).