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

C15H11BrN2O3 — CID 104937985

IUPAC2-bromo-5-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]phenol
SMILESCOc1ccc(-c2noc(-c3ccc(Br)c(O)c3)n2)cc1
InChIInChI=1S/C15H11BrN2O3/c1-20-11-5-2-9(3-6-11)14-17-15(21-18-14)10-4-7-12(16)13(19)8-10/h2-8,19H,1H3
InChIKeySIUPDTNGTWTSPG-UHFFFAOYSA-N
MW347.17 g/mol
LogP3.88
Rot. Bonds3

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

2-bromo-5-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]phenol (PubChem CID 104937985) has the molecular formula C15H11BrN2O3 and a molecular weight of 347.17 g/mol. Its IUPAC name is 2-bromo-5-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]phenol.

Molecular Properties

Compound Name2-bromo-5-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]phenol
PubChem CID104937985
Molecular FormulaC15H11BrN2O3
Molecular Weight347.17 g/mol
Exact Mass346.00
IUPAC Name2-bromo-5-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]phenol
SMILESCOc1ccc(-c2noc(-c3ccc(Br)c(O)c3)n2)cc1
InChIInChI=1S/C15H11BrN2O3/c1-20-11-5-2-9(3-6-11)14-17-15(21-18-14)10-4-7-12(16)13(19)8-10/h2-8,19H,1H3
InChIKeySIUPDTNGTWTSPG-UHFFFAOYSA-N
XLogP3.88
TPSA68.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.17
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-bromo-5-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]phenol
CID 104938026
2-bromo-5-[3-(furan-3-yl)-1,2,4-oxadiazol-5-yl]phenol
CID 107037339
5-(2-bromophenyl)-3-(4-methoxyphenyl)-1,2,4-oxadiazole
CID 752271
5-(3-chloro-4-methylphenyl)-3-(4-methoxyphenyl)-1,2,4-oxadiazole
CID 705865
3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]benzoic acid
CID 44621438
5-(3,5-ditert-butylphenyl)-3-(4-methoxyphenyl)-1,2,4-oxadiazole
CID 143910337
5-(2-bromo-5-methoxyphenyl)-3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazole
CID 2742628
3-(4-methoxyphenyl)-5-(3-propan-2-yloxyphenyl)-1,2,4-oxadiazole
CID 8779241
2-methyl-5-(3-phenyl-1,2,4-oxadiazol-5-yl)phenol
CID 63851081
3-(4-methoxyphenyl)-5-(2,4,5-trimethoxyphenyl)-1,2,4-oxadiazole
CID 912387
2-bromo-5-[3-(2,2-dimethylpropyl)-1,2,4-oxadiazol-5-yl]phenol
CID 104938517
3-(4-fluorophenyl)-5-(3-methoxyphenyl)-1,2,4-oxadiazole
CID 6459125

Frequently Asked Questions

What is the IUPAC name of 2-bromo-5-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]phenol?
The IUPAC name of 2-bromo-5-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]phenol (CID 104937985) is 2-bromo-5-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]phenol.
What is the SMILES notation for 2-bromo-5-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]phenol?
The canonical SMILES for 2-bromo-5-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]phenol is COc1ccc(-c2noc(-c3ccc(Br)c(O)c3)n2)cc1.
What is the InChIKey of 2-bromo-5-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]phenol?
The InChIKey is SIUPDTNGTWTSPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11BrN2O3/c1-20-11-5-2-9(3-6-11)14-17-15(21-18-14)10-4-7-12(16)13(19)8-10/h2-8,19H,1H3.
What are the key properties of 2-bromo-5-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]phenol?
2-bromo-5-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]phenol has a molecular weight of 347.17 g/mol, XLogP of 3.88, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-5-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]phenol is sourced from PubChem (CID 104937985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).