2-bromo-4-methyl-N-(5-pyrrolidin-2-yl-1,3,4-oxadiazol-2-yl)benzamide

C14H15BrN4O2 — CID 102703172

IUPAC2-bromo-4-methyl-N-(5-pyrrolidin-2-yl-1,3,4-oxadiazol-2-yl)benzamide
SMILESCc1ccc(C(=O)Nc2nnc(C3CCCN3)o2)c(Br)c1
InChIInChI=1S/C14H15BrN4O2/c1-8-4-5-9(10(15)7-8)12(20)17-14-19-18-13(21-14)11-3-2-6-16-11/h4-5,7,11,16H,2-3,6H2,1H3,(H,17,19,20)
InChIKeyRUCXVVBDFCTGAU-UHFFFAOYSA-N
MW351.20 g/mol
LogP2.82
Rot. Bonds3

About 2-bromo-4-methyl-N-(5-pyrrolidin-2-yl-1,3,4-oxadiazol-2-yl)benzamide

2-bromo-4-methyl-N-(5-pyrrolidin-2-yl-1,3,4-oxadiazol-2-yl)benzamide (PubChem CID 102703172) has the molecular formula C14H15BrN4O2 and a molecular weight of 351.20 g/mol. Its IUPAC name is 2-bromo-4-methyl-N-(5-pyrrolidin-2-yl-1,3,4-oxadiazol-2-yl)benzamide.

Molecular Properties

Compound Name2-bromo-4-methyl-N-(5-pyrrolidin-2-yl-1,3,4-oxadiazol-2-yl)benzamide
PubChem CID102703172
Molecular FormulaC14H15BrN4O2
Molecular Weight351.20 g/mol
Exact Mass350.04
IUPAC Name2-bromo-4-methyl-N-(5-pyrrolidin-2-yl-1,3,4-oxadiazol-2-yl)benzamide
SMILESCc1ccc(C(=O)Nc2nnc(C3CCCN3)o2)c(Br)c1
InChIInChI=1S/C14H15BrN4O2/c1-8-4-5-9(10(15)7-8)12(20)17-14-19-18-13(21-14)11-3-2-6-16-11/h4-5,7,11,16H,2-3,6H2,1H3,(H,17,19,20)
InChIKeyRUCXVVBDFCTGAU-UHFFFAOYSA-N
XLogP2.82
TPSA80.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.20
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-bromo-4-methyl-N-(5-pyrrolidin-2-yl-1,3,4-oxadiazol-2-yl)benzamide 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 2-bromo-4-methyl-N-(5-pyrrolidin-2-yl-1,3,4-oxadiazol-2-yl)benzamide?
The IUPAC name of 2-bromo-4-methyl-N-(5-pyrrolidin-2-yl-1,3,4-oxadiazol-2-yl)benzamide (CID 102703172) is 2-bromo-4-methyl-N-(5-pyrrolidin-2-yl-1,3,4-oxadiazol-2-yl)benzamide.
What is the SMILES notation for 2-bromo-4-methyl-N-(5-pyrrolidin-2-yl-1,3,4-oxadiazol-2-yl)benzamide?
The canonical SMILES for 2-bromo-4-methyl-N-(5-pyrrolidin-2-yl-1,3,4-oxadiazol-2-yl)benzamide is Cc1ccc(C(=O)Nc2nnc(C3CCCN3)o2)c(Br)c1.
What is the InChIKey of 2-bromo-4-methyl-N-(5-pyrrolidin-2-yl-1,3,4-oxadiazol-2-yl)benzamide?
The InChIKey is RUCXVVBDFCTGAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrN4O2/c1-8-4-5-9(10(15)7-8)12(20)17-14-19-18-13(21-14)11-3-2-6-16-11/h4-5,7,11,16H,2-3,6H2,1H3,(H,17,19,20).
What are the key properties of 2-bromo-4-methyl-N-(5-pyrrolidin-2-yl-1,3,4-oxadiazol-2-yl)benzamide?
2-bromo-4-methyl-N-(5-pyrrolidin-2-yl-1,3,4-oxadiazol-2-yl)benzamide has a molecular weight of 351.20 g/mol, XLogP of 2.82, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-4-methyl-N-(5-pyrrolidin-2-yl-1,3,4-oxadiazol-2-yl)benzamide is sourced from PubChem (CID 102703172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).