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

C11H12BrN3O2 — CID 115282679

IUPAC5-bromo-1-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-3-methylpyridin-2-one
SMILESCCc1nnc(Cn2cc(Br)cc(C)c2=O)o1
InChIInChI=1S/C11H12BrN3O2/c1-3-9-13-14-10(17-9)6-15-5-8(12)4-7(2)11(15)16/h4-5H,3,6H2,1-2H3
InChIKeyDILKWQMSBVTMRM-UHFFFAOYSA-N
MW298.14 g/mol
LogP1.91
Rot. Bonds3

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

5-bromo-1-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-3-methylpyridin-2-one (PubChem CID 115282679) has the molecular formula C11H12BrN3O2 and a molecular weight of 298.14 g/mol. Its IUPAC name is 5-bromo-1-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-3-methylpyridin-2-one.

Molecular Properties

Compound Name5-bromo-1-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-3-methylpyridin-2-one
PubChem CID115282679
Molecular FormulaC11H12BrN3O2
Molecular Weight298.14 g/mol
Exact Mass297.01
IUPAC Name5-bromo-1-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-3-methylpyridin-2-one
SMILESCCc1nnc(Cn2cc(Br)cc(C)c2=O)o1
InChIInChI=1S/C11H12BrN3O2/c1-3-9-13-14-10(17-9)6-15-5-8(12)4-7(2)11(15)16/h4-5H,3,6H2,1-2H3
InChIKeyDILKWQMSBVTMRM-UHFFFAOYSA-N
XLogP1.91
TPSA60.92 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.14
LogP ≤ 51.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 5-bromo-1-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-3-methylpyridin-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-Iodo-3-methyl-1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]pyridin-2-one
CID 84590849
1-[(5-Tert-butyl-1,3,4-oxadiazol-2-yl)methyl]-3-(trifluoromethyl)pyridin-2-one
CID 45811938
N-ethyl-N-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-2-[2-oxo-3-(trifluoromethyl)pyridin-1(2H)-yl]acetamide
CID 72907766
5-Fluoro-1-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methyl]pyridin-2-one
CID 99831421
5-Fluoro-3-iodo-1-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methyl]pyridin-2-one
CID 136529849
4-methyl-1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-3H-pyridin-3-id-6-one;yttrium
CID 172336154
ethane;4-methyl-1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-3H-pyridin-3-id-6-one;yttrium
CID 172336641
1-[(5-Methyl-1,3,4-oxadiazol-2-yl)methyl]-2-oxopyridine-4-carboxamide
CID 176096483
5-Bromo-1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]pyridin-2-one
CID 60627666
5-Bromo-1-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]pyridin-2-one
CID 60746497
5-Bromo-4-methoxy-1-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methyl]pyridin-2-one
CID 75437258
5-Bromo-3-methyl-1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]pyridin-2-one
CID 83133220

Frequently Asked Questions

What is the IUPAC name of 5-bromo-1-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-3-methylpyridin-2-one?
The IUPAC name of 5-bromo-1-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-3-methylpyridin-2-one (CID 115282679) is 5-bromo-1-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-3-methylpyridin-2-one.
What is the SMILES notation for 5-bromo-1-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-3-methylpyridin-2-one?
The canonical SMILES for 5-bromo-1-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-3-methylpyridin-2-one is CCc1nnc(Cn2cc(Br)cc(C)c2=O)o1.
What is the InChIKey of 5-bromo-1-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-3-methylpyridin-2-one?
The InChIKey is DILKWQMSBVTMRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12BrN3O2/c1-3-9-13-14-10(17-9)6-15-5-8(12)4-7(2)11(15)16/h4-5H,3,6H2,1-2H3.
What are the key properties of 5-bromo-1-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-3-methylpyridin-2-one?
5-bromo-1-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-3-methylpyridin-2-one has a molecular weight of 298.14 g/mol, XLogP of 1.91, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-1-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-3-methylpyridin-2-one is sourced from PubChem (CID 115282679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).