5-bromo-1-[2-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)ethyl]pyridin-2-one

C14H11BrN4O2 — CID 86777841

IUPAC5-bromo-1-[2-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)ethyl]pyridin-2-one
SMILESO=c1ccc(Br)cn1CCc1nc(-c2ccccn2)no1
InChIInChI=1S/C14H11BrN4O2/c15-10-4-5-13(20)19(9-10)8-6-12-17-14(18-21-12)11-3-1-2-7-16-11/h1-5,7,9H,6,8H2
InChIKeyVUMUOYIDZQTYFB-UHFFFAOYSA-N
MW347.17 g/mol
LogP2.30
Rot. Bonds4

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

5-bromo-1-[2-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)ethyl]pyridin-2-one (PubChem CID 86777841) has the molecular formula C14H11BrN4O2 and a molecular weight of 347.17 g/mol. Its IUPAC name is 5-bromo-1-[2-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)ethyl]pyridin-2-one.

Molecular Properties

Compound Name5-bromo-1-[2-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)ethyl]pyridin-2-one
PubChem CID86777841
Molecular FormulaC14H11BrN4O2
Molecular Weight347.17 g/mol
Exact Mass346.01
IUPAC Name5-bromo-1-[2-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)ethyl]pyridin-2-one
SMILESO=c1ccc(Br)cn1CCc1nc(-c2ccccn2)no1
InChIInChI=1S/C14H11BrN4O2/c15-10-4-5-13(20)19(9-10)8-6-12-17-14(18-21-12)11-3-1-2-7-16-11/h1-5,7,9H,6,8H2
InChIKeyVUMUOYIDZQTYFB-UHFFFAOYSA-N
XLogP2.30
TPSA73.81 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.17
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 5-bromo-1-[2-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)ethyl]pyridin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-butyl-3-pyridin-2-yl-1,2,4-oxadiazole
CID 26772271
1-[2-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]ethyl]-5-bromopyridin-2-one
CID 120852283
5-(3-phenylpropyl)-3-pyridin-2-yl-1,2,4-oxadiazole
CID 752286
5-(3-methylbutyl)-3-pyridin-2-yl-1,2,4-oxadiazole
CID 154530032
4-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)butan-2-ol
CID 63345489
N-pyridin-2-yl-3-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 86980596
2-(1,3-dioxoisoindol-2-yl)ethyl 3-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)propanoate
CID 46428237
5-(phenoxymethyl)-3-pyridin-2-yl-1,2,4-oxadiazole
CID 880364
methyl 2-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)acetate
CID 79474815
1,1,1-trifluoro-3-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)propan-2-one
CID 63346832
N-[(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)methyl]cyclopropanamine
CID 60837872
3-methyl-4-oxo-N-[2-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)ethyl]phthalazine-1-carboxamide
CID 91794923

Frequently Asked Questions

What is the IUPAC name of 5-bromo-1-[2-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)ethyl]pyridin-2-one?
The IUPAC name of 5-bromo-1-[2-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)ethyl]pyridin-2-one (CID 86777841) is 5-bromo-1-[2-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)ethyl]pyridin-2-one.
What is the SMILES notation for 5-bromo-1-[2-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)ethyl]pyridin-2-one?
The canonical SMILES for 5-bromo-1-[2-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)ethyl]pyridin-2-one is O=c1ccc(Br)cn1CCc1nc(-c2ccccn2)no1.
What is the InChIKey of 5-bromo-1-[2-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)ethyl]pyridin-2-one?
The InChIKey is VUMUOYIDZQTYFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11BrN4O2/c15-10-4-5-13(20)19(9-10)8-6-12-17-14(18-21-12)11-3-1-2-7-16-11/h1-5,7,9H,6,8H2.
What are the key properties of 5-bromo-1-[2-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)ethyl]pyridin-2-one?
5-bromo-1-[2-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)ethyl]pyridin-2-one has a molecular weight of 347.17 g/mol, XLogP of 2.30, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-1-[2-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)ethyl]pyridin-2-one is sourced from PubChem (CID 86777841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).