2-[3-(5-bromo-2-pyridinyl)-1,2,4-oxadiazol-5-yl]-5-methylphenol

C14H10BrN3O2 — CID 136715466

IUPAC2-[3-(5-bromo-2-pyridinyl)-1,2,4-oxadiazol-5-yl]-5-methylphenol
SMILESCc1ccc(-c2nc(-c3ccc(Br)cn3)no2)c(O)c1
InChIInChI=1S/C14H10BrN3O2/c1-8-2-4-10(12(19)6-8)14-17-13(18-20-14)11-5-3-9(15)7-16-11/h2-7,19H,1H3
InChIKeyJDLZOCGTBYCTGZ-UHFFFAOYSA-N
MW332.16 g/mol
LogP3.58
Rot. Bonds2

About 2-[3-(5-bromo-2-pyridinyl)-1,2,4-oxadiazol-5-yl]-5-methylphenol

2-[3-(5-bromo-2-pyridinyl)-1,2,4-oxadiazol-5-yl]-5-methylphenol (PubChem CID 136715466) has the molecular formula C14H10BrN3O2 and a molecular weight of 332.16 g/mol. Its IUPAC name is 2-[3-(5-bromo-2-pyridinyl)-1,2,4-oxadiazol-5-yl]-5-methylphenol.

Molecular Properties

Compound Name2-[3-(5-bromo-2-pyridinyl)-1,2,4-oxadiazol-5-yl]-5-methylphenol
PubChem CID136715466
Molecular FormulaC14H10BrN3O2
Molecular Weight332.16 g/mol
Exact Mass331.00
IUPAC Name2-[3-(5-bromo-2-pyridinyl)-1,2,4-oxadiazol-5-yl]-5-methylphenol
SMILESCc1ccc(-c2nc(-c3ccc(Br)cn3)no2)c(O)c1
InChIInChI=1S/C14H10BrN3O2/c1-8-2-4-10(12(19)6-8)14-17-13(18-20-14)11-5-3-9(15)7-16-11/h2-7,19H,1H3
InChIKeyJDLZOCGTBYCTGZ-UHFFFAOYSA-N
XLogP3.58
TPSA72.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.16
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[3-(5-bromo-2-pyridinyl)-1,2,4-oxadiazol-5-yl]-3-fluorophenol
CID 136871087
3-(5-bromo-2-pyridinyl)-5-methyl-1,2,4-oxadiazole
CID 23438610
5-[3-(5-bromo-2-pyridinyl)-1,2,4-oxadiazol-5-yl]benzene-1,3-diamine
CID 107811738
4-bromo-2-[3-(5-methylpyrimidin-2-yl)-1,2,4-oxadiazol-5-yl]phenol
CID 136701140
2-[3-(2-bromo-4-methylphenyl)-1,2,4-oxadiazol-5-yl]-5-fluorophenol
CID 136701088
5-methyl-2-[3-(1H-pyrrol-2-yl)-1,2,4-oxadiazol-5-yl]phenol
CID 137001702
3-[5-(5-bromo-2-pyridinyl)-1,2,4-oxadiazol-3-yl]phenol
CID 55152491
2-[3-(2-hydroxyethyl)-1,2,4-oxadiazol-5-yl]-5-methylphenol
CID 136712503
4-bromo-2-[3-(6-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]phenol
CID 136701048
tert-butyl N-[6-[5-(5-bromo-2-hydroxyphenyl)-1,2,4-oxadiazol-3-yl]-3-pyridinyl]carbamate
CID 135429409
5-(3,5-dimethylphenyl)-3-(5-fluoro-2-pyridinyl)-1,2,4-oxadiazole
CID 11242644
2-[3-(5-bromo-2-pyridinyl)-1,2,4-oxadiazol-5-yl]-3,6-dichloroaniline
CID 107051170

Frequently Asked Questions

What is the IUPAC name of 2-[3-(5-bromo-2-pyridinyl)-1,2,4-oxadiazol-5-yl]-5-methylphenol?
The IUPAC name of 2-[3-(5-bromo-2-pyridinyl)-1,2,4-oxadiazol-5-yl]-5-methylphenol (CID 136715466) is 2-[3-(5-bromo-2-pyridinyl)-1,2,4-oxadiazol-5-yl]-5-methylphenol.
What is the SMILES notation for 2-[3-(5-bromo-2-pyridinyl)-1,2,4-oxadiazol-5-yl]-5-methylphenol?
The canonical SMILES for 2-[3-(5-bromo-2-pyridinyl)-1,2,4-oxadiazol-5-yl]-5-methylphenol is Cc1ccc(-c2nc(-c3ccc(Br)cn3)no2)c(O)c1.
What is the InChIKey of 2-[3-(5-bromo-2-pyridinyl)-1,2,4-oxadiazol-5-yl]-5-methylphenol?
The InChIKey is JDLZOCGTBYCTGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10BrN3O2/c1-8-2-4-10(12(19)6-8)14-17-13(18-20-14)11-5-3-9(15)7-16-11/h2-7,19H,1H3.
What are the key properties of 2-[3-(5-bromo-2-pyridinyl)-1,2,4-oxadiazol-5-yl]-5-methylphenol?
2-[3-(5-bromo-2-pyridinyl)-1,2,4-oxadiazol-5-yl]-5-methylphenol has a molecular weight of 332.16 g/mol, XLogP of 3.58, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(5-bromo-2-pyridinyl)-1,2,4-oxadiazol-5-yl]-5-methylphenol is sourced from PubChem (CID 136715466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).