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

C14H9Br2N3O2 — CID 17485725

IUPAC5-bromo-1-[[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]methyl]pyridin-2-one
SMILESO=c1ccc(Br)cn1Cc1nnc(-c2ccccc2Br)o1
InChIInChI=1S/C14H9Br2N3O2/c15-9-5-6-13(20)19(7-9)8-12-17-18-14(21-12)10-3-1-2-4-11(10)16/h1-7H,8H2
InChIKeyOVMIROKASGGAFB-UHFFFAOYSA-N
MW411.05 g/mol
LogP3.47
Rot. Bonds3

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

5-bromo-1-[[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]methyl]pyridin-2-one (PubChem CID 17485725) has the molecular formula C14H9Br2N3O2 and a molecular weight of 411.05 g/mol. Its IUPAC name is 5-bromo-1-[[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]methyl]pyridin-2-one.

Molecular Properties

Compound Name5-bromo-1-[[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]methyl]pyridin-2-one
PubChem CID17485725
Molecular FormulaC14H9Br2N3O2
Molecular Weight411.05 g/mol
Exact Mass408.91
IUPAC Name5-bromo-1-[[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]methyl]pyridin-2-one
SMILESO=c1ccc(Br)cn1Cc1nnc(-c2ccccc2Br)o1
InChIInChI=1S/C14H9Br2N3O2/c15-9-5-6-13(20)19(7-9)8-12-17-18-14(21-12)10-3-1-2-4-11(10)16/h1-7H,8H2
InChIKeyOVMIROKASGGAFB-UHFFFAOYSA-N
XLogP3.47
TPSA60.92 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.05
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 5-bromo-1-[[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]methyl]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

Frequently Asked Questions

What is the IUPAC name of 5-bromo-1-[[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]methyl]pyridin-2-one?
The IUPAC name of 5-bromo-1-[[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]methyl]pyridin-2-one (CID 17485725) is 5-bromo-1-[[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]methyl]pyridin-2-one.
What is the SMILES notation for 5-bromo-1-[[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]methyl]pyridin-2-one?
The canonical SMILES for 5-bromo-1-[[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]methyl]pyridin-2-one is O=c1ccc(Br)cn1Cc1nnc(-c2ccccc2Br)o1.
What is the InChIKey of 5-bromo-1-[[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]methyl]pyridin-2-one?
The InChIKey is OVMIROKASGGAFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9Br2N3O2/c15-9-5-6-13(20)19(7-9)8-12-17-18-14(21-12)10-3-1-2-4-11(10)16/h1-7H,8H2.
What are the key properties of 5-bromo-1-[[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]methyl]pyridin-2-one?
5-bromo-1-[[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]methyl]pyridin-2-one has a molecular weight of 411.05 g/mol, XLogP of 3.47, 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-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]methyl]pyridin-2-one is sourced from PubChem (CID 17485725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).