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

C15H12BrN3O2 — CID 104938518

IUPAC2-bromo-5-[3-(3-ethyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]phenol
SMILESCCc1cccnc1-c1noc(-c2ccc(Br)c(O)c2)n1
InChIInChI=1S/C15H12BrN3O2/c1-2-9-4-3-7-17-13(9)14-18-15(21-19-14)10-5-6-11(16)12(20)8-10/h3-8,20H,2H2,1H3
InChIKeyGQEWNBMUSZAZKE-UHFFFAOYSA-N
MW346.18 g/mol
LogP3.83
Rot. Bonds3

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

2-bromo-5-[3-(3-ethyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]phenol (PubChem CID 104938518) has the molecular formula C15H12BrN3O2 and a molecular weight of 346.18 g/mol. Its IUPAC name is 2-bromo-5-[3-(3-ethyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]phenol.

Molecular Properties

Compound Name2-bromo-5-[3-(3-ethyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]phenol
PubChem CID104938518
Molecular FormulaC15H12BrN3O2
Molecular Weight346.18 g/mol
Exact Mass345.01
IUPAC Name2-bromo-5-[3-(3-ethyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]phenol
SMILESCCc1cccnc1-c1noc(-c2ccc(Br)c(O)c2)n1
InChIInChI=1S/C15H12BrN3O2/c1-2-9-4-3-7-17-13(9)14-18-15(21-19-14)10-5-6-11(16)12(20)8-10/h3-8,20H,2H2,1H3
InChIKeyGQEWNBMUSZAZKE-UHFFFAOYSA-N
XLogP3.83
TPSA72.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.18
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-chloro-3-(3-ethyl-2-pyridinyl)-1,2,4-oxadiazole
CID 82741728
2-bromo-5-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]phenol
CID 104938026
4-[3-(3-ethyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]-1H-pyrrole-2-carbonitrile
CID 136701103
1-[3-(3-ethyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]ethanone
CID 82740955
2-bromo-5-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]phenol
CID 104937985
2-[3-(3-ethyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]-5-fluoroaniline
CID 82732102
2-[3-(3-ethyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]acetonitrile
CID 106526504
(1S)-1-[3-(3-ethyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]propan-1-amine
CID 104881133
2-bromo-5-[3-(furan-3-yl)-1,2,4-oxadiazol-5-yl]phenol
CID 107037339
2-[[3-(3-ethyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]methoxy]acetic acid
CID 82730434
1-[3-(3-ethyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]-4-methylpentan-2-one
CID 82741272
1-[3-(3-ethyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]pentan-2-ol
CID 82740956

Frequently Asked Questions

What is the IUPAC name of 2-bromo-5-[3-(3-ethyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]phenol?
The IUPAC name of 2-bromo-5-[3-(3-ethyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]phenol (CID 104938518) is 2-bromo-5-[3-(3-ethyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]phenol.
What is the SMILES notation for 2-bromo-5-[3-(3-ethyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]phenol?
The canonical SMILES for 2-bromo-5-[3-(3-ethyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]phenol is CCc1cccnc1-c1noc(-c2ccc(Br)c(O)c2)n1.
What is the InChIKey of 2-bromo-5-[3-(3-ethyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]phenol?
The InChIKey is GQEWNBMUSZAZKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12BrN3O2/c1-2-9-4-3-7-17-13(9)14-18-15(21-19-14)10-5-6-11(16)12(20)8-10/h3-8,20H,2H2,1H3.
What are the key properties of 2-bromo-5-[3-(3-ethyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]phenol?
2-bromo-5-[3-(3-ethyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]phenol has a molecular weight of 346.18 g/mol, XLogP of 3.83, 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-(3-ethyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]phenol is sourced from PubChem (CID 104938518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).