3-[3-(2-bromophenyl)-1,2,4-oxadiazol-5-yl]-1H-pyridin-2-one

C13H8BrN3O2 — CID 135572389

IUPAC3-[3-(2-bromophenyl)-1,2,4-oxadiazol-5-yl]-1H-pyridin-2-one
SMILESO=c1[nH]cccc1-c1nc(-c2ccccc2Br)no1
InChIInChI=1S/C13H8BrN3O2/c14-10-6-2-1-4-8(10)11-16-13(19-17-11)9-5-3-7-15-12(9)18/h1-7H,(H,15,18)
InChIKeyICCLPDBRRNKSKX-UHFFFAOYSA-N
MW318.13 g/mol
LogP2.85
Rot. Bonds2

About 3-[3-(2-bromophenyl)-1,2,4-oxadiazol-5-yl]-1H-pyridin-2-one

3-[3-(2-bromophenyl)-1,2,4-oxadiazol-5-yl]-1H-pyridin-2-one (PubChem CID 135572389) has the molecular formula C13H8BrN3O2 and a molecular weight of 318.13 g/mol. Its IUPAC name is 3-[3-(2-bromophenyl)-1,2,4-oxadiazol-5-yl]-1H-pyridin-2-one.

Molecular Properties

Compound Name3-[3-(2-bromophenyl)-1,2,4-oxadiazol-5-yl]-1H-pyridin-2-one
PubChem CID135572389
Molecular FormulaC13H8BrN3O2
Molecular Weight318.13 g/mol
Exact Mass316.98
IUPAC Name3-[3-(2-bromophenyl)-1,2,4-oxadiazol-5-yl]-1H-pyridin-2-one
SMILESO=c1[nH]cccc1-c1nc(-c2ccccc2Br)no1
InChIInChI=1S/C13H8BrN3O2/c14-10-6-2-1-4-8(10)11-16-13(19-17-11)9-5-3-7-15-12(9)18/h1-7H,(H,15,18)
InChIKeyICCLPDBRRNKSKX-UHFFFAOYSA-N
XLogP2.85
TPSA71.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.13
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-1H-pyridin-2-one
CID 136740797
3-[3-(2-bromophenyl)-1,2,4-oxadiazol-5-yl]benzene-1,2-diol
CID 136928412
4-[3-(2-bromophenyl)-1,2,4-oxadiazol-5-yl]-2-phenylisoquinolin-1-one
CID 53034201
4-[3-(2-bromophenyl)-1,2,4-oxadiazol-5-yl]-2-(4-fluorophenyl)isoquinolin-1-one
CID 53082170
3-(2-bromophenyl)-1,2,4-oxadiazole-5-carbaldehyde
CID 63773373
5-(2-bromophenyl)-3-pyridin-2-yl-1,2,4-oxadiazole
CID 750612
3-(2-bromophenyl)-N,N-dimethyl-1,2,4-oxadiazol-5-amine
CID 102218667
2-[3-(1H-pyrrol-2-yl)-1,2,4-oxadiazol-5-yl]benzoic acid
CID 136984590
2-[3-(2-bromophenyl)-1,2,4-oxadiazol-5-yl]-4-methoxyaniline
CID 115411790
5-(2-bromophenyl)-3-(4-methoxyphenyl)-1,2,4-oxadiazole
CID 752271
4-[3-(2-bromophenyl)-1,2,4-oxadiazol-5-yl]-2-(3-methylphenyl)isoquinolin-1-one
CID 53082118
(2R)-2-amino-2-[3-(2-bromophenyl)-1,2,4-oxadiazol-5-yl]ethanol
CID 104915670

Frequently Asked Questions

What is the IUPAC name of 3-[3-(2-bromophenyl)-1,2,4-oxadiazol-5-yl]-1H-pyridin-2-one?
The IUPAC name of 3-[3-(2-bromophenyl)-1,2,4-oxadiazol-5-yl]-1H-pyridin-2-one (CID 135572389) is 3-[3-(2-bromophenyl)-1,2,4-oxadiazol-5-yl]-1H-pyridin-2-one.
What is the SMILES notation for 3-[3-(2-bromophenyl)-1,2,4-oxadiazol-5-yl]-1H-pyridin-2-one?
The canonical SMILES for 3-[3-(2-bromophenyl)-1,2,4-oxadiazol-5-yl]-1H-pyridin-2-one is O=c1[nH]cccc1-c1nc(-c2ccccc2Br)no1.
What is the InChIKey of 3-[3-(2-bromophenyl)-1,2,4-oxadiazol-5-yl]-1H-pyridin-2-one?
The InChIKey is ICCLPDBRRNKSKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8BrN3O2/c14-10-6-2-1-4-8(10)11-16-13(19-17-11)9-5-3-7-15-12(9)18/h1-7H,(H,15,18).
What are the key properties of 3-[3-(2-bromophenyl)-1,2,4-oxadiazol-5-yl]-1H-pyridin-2-one?
3-[3-(2-bromophenyl)-1,2,4-oxadiazol-5-yl]-1H-pyridin-2-one has a molecular weight of 318.13 g/mol, XLogP of 2.85, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(2-bromophenyl)-1,2,4-oxadiazol-5-yl]-1H-pyridin-2-one is sourced from PubChem (CID 135572389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).