4-bromo-2-[3-(6-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]phenol

C14H10BrN3O2 — CID 136701048

IUPAC4-bromo-2-[3-(6-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]phenol
SMILESCc1cccc(-c2noc(-c3cc(Br)ccc3O)n2)n1
InChIInChI=1S/C14H10BrN3O2/c1-8-3-2-4-11(16-8)13-17-14(20-18-13)10-7-9(15)5-6-12(10)19/h2-7,19H,1H3
InChIKeyMCFLWIGTDGXOHY-UHFFFAOYSA-N
MW332.16 g/mol
LogP3.58
Rot. Bonds2

About 4-bromo-2-[3-(6-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]phenol

4-bromo-2-[3-(6-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]phenol (PubChem CID 136701048) has the molecular formula C14H10BrN3O2 and a molecular weight of 332.16 g/mol. Its IUPAC name is 4-bromo-2-[3-(6-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]phenol.

Molecular Properties

Compound Name4-bromo-2-[3-(6-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]phenol
PubChem CID136701048
Molecular FormulaC14H10BrN3O2
Molecular Weight332.16 g/mol
Exact Mass331.00
IUPAC Name4-bromo-2-[3-(6-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]phenol
SMILESCc1cccc(-c2noc(-c3cc(Br)ccc3O)n2)n1
InChIInChI=1S/C14H10BrN3O2/c1-8-3-2-4-11(16-8)13-17-14(20-18-13)10-7-9(15)5-6-12(10)19/h2-7,19H,1H3
InChIKeyMCFLWIGTDGXOHY-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-bromo-2-[3-(5-methylpyrimidin-2-yl)-1,2,4-oxadiazol-5-yl]phenol
CID 136701140
4-bromo-2-[3-(2H-triazol-4-yl)-1,2,4-oxadiazol-5-yl]phenol
CID 136885778
4-bromo-2-[3-(4-hydroxyphenyl)-1,2,4-oxadiazol-5-yl]phenol
CID 136809735
4-bromo-2-[3-(4-methylsulfanylphenyl)-1,2,4-oxadiazol-5-yl]phenol
CID 136885829
4-bromo-2-[3-(3-fluoro-5-methylphenyl)-1,2,4-oxadiazol-5-yl]phenol
CID 136885782
4-bromo-2-(3-isoquinolin-1-yl-1,2,4-oxadiazol-5-yl)phenol
CID 135429377
4-bromo-2-[3-[(3-methylphenyl)methyl]-1,2,4-oxadiazol-5-yl]phenol
CID 136905965
2-[3-(3-bromophenyl)-1,2,4-oxadiazol-5-yl]-4-fluorophenol
CID 137011333
4-bromo-2-[3-(2,2-dimethylpropyl)-1,2,4-oxadiazol-5-yl]phenol
CID 136701102
3-[5-(6-methyl-2-pyridinyl)-1,2,4-oxadiazol-3-yl]phenol
CID 43120309
4-bromo-2-[3-(4,4-dimethylcyclohexyl)-1,2,4-oxadiazol-5-yl]phenol
CID 136885770
4-[3-(6-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]benzonitrile
CID 104677046

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-[3-(6-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]phenol?
The IUPAC name of 4-bromo-2-[3-(6-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]phenol (CID 136701048) is 4-bromo-2-[3-(6-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]phenol.
What is the SMILES notation for 4-bromo-2-[3-(6-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]phenol?
The canonical SMILES for 4-bromo-2-[3-(6-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]phenol is Cc1cccc(-c2noc(-c3cc(Br)ccc3O)n2)n1.
What is the InChIKey of 4-bromo-2-[3-(6-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]phenol?
The InChIKey is MCFLWIGTDGXOHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10BrN3O2/c1-8-3-2-4-11(16-8)13-17-14(20-18-13)10-7-9(15)5-6-12(10)19/h2-7,19H,1H3.
What are the key properties of 4-bromo-2-[3-(6-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]phenol?
4-bromo-2-[3-(6-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]phenol 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 4-bromo-2-[3-(6-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]phenol is sourced from PubChem (CID 136701048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).