[(1S)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl] 3-bromopyridine-2-carboxylate

C11H10BrN3O3 — CID 124887375

IUPAC[(1S)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl] 3-bromopyridine-2-carboxylate
SMILESCc1noc([C@H](C)OC(=O)c2ncccc2Br)n1
InChIInChI=1S/C11H10BrN3O3/c1-6(10-14-7(2)15-18-10)17-11(16)9-8(12)4-3-5-13-9/h3-6H,1-2H3/t6-/m0/s1
InChIKeyGIBYOQRDEZWXGX-LURJTMIESA-N
MW312.12 g/mol
LogP2.45
Rot. Bonds3

About [(1S)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl] 3-bromopyridine-2-carboxylate

[(1S)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl] 3-bromopyridine-2-carboxylate (PubChem CID 124887375) has the molecular formula C11H10BrN3O3 and a molecular weight of 312.12 g/mol. Its IUPAC name is [(1S)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl] 3-bromopyridine-2-carboxylate.

Molecular Properties

Compound Name[(1S)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl] 3-bromopyridine-2-carboxylate
PubChem CID124887375
Molecular FormulaC11H10BrN3O3
Molecular Weight312.12 g/mol
Exact Mass310.99
IUPAC Name[(1S)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl] 3-bromopyridine-2-carboxylate
SMILESCc1noc([C@H](C)OC(=O)c2ncccc2Br)n1
InChIInChI=1S/C11H10BrN3O3/c1-6(10-14-7(2)15-18-10)17-11(16)9-8(12)4-3-5-13-9/h3-6H,1-2H3/t6-/m0/s1
InChIKeyGIBYOQRDEZWXGX-LURJTMIESA-N
XLogP2.45
TPSA78.11 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.12
LogP ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze [(1S)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl] 3-bromopyridine-2-carboxylate with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [(1S)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl] 3-bromopyridine-2-carboxylate?
The IUPAC name of [(1S)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl] 3-bromopyridine-2-carboxylate (CID 124887375) is [(1S)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl] 3-bromopyridine-2-carboxylate.
What is the SMILES notation for [(1S)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl] 3-bromopyridine-2-carboxylate?
The canonical SMILES for [(1S)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl] 3-bromopyridine-2-carboxylate is Cc1noc([C@H](C)OC(=O)c2ncccc2Br)n1.
What is the InChIKey of [(1S)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl] 3-bromopyridine-2-carboxylate?
The InChIKey is GIBYOQRDEZWXGX-LURJTMIESA-N. The full InChI is InChI=1S/C11H10BrN3O3/c1-6(10-14-7(2)15-18-10)17-11(16)9-8(12)4-3-5-13-9/h3-6H,1-2H3/t6-/m0/s1.
What are the key properties of [(1S)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl] 3-bromopyridine-2-carboxylate?
[(1S)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl] 3-bromopyridine-2-carboxylate has a molecular weight of 312.12 g/mol, XLogP of 2.45, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl] 3-bromopyridine-2-carboxylate is sourced from PubChem (CID 124887375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).