2-bromo-5-[3-(4-methyl-3-pyridinyl)-1,2,4-oxadiazol-5-yl]aniline

C14H11BrN4O — CID 107813854

IUPAC2-bromo-5-[3-(4-methyl-3-pyridinyl)-1,2,4-oxadiazol-5-yl]aniline
SMILESCc1ccncc1-c1noc(-c2ccc(Br)c(N)c2)n1
InChIInChI=1S/C14H11BrN4O/c1-8-4-5-17-7-10(8)13-18-14(20-19-13)9-2-3-11(15)12(16)6-9/h2-7H,16H2,1H3
InChIKeyRWZUBMSDCYCRKL-UHFFFAOYSA-N
MW331.17 g/mol
LogP3.45
Rot. Bonds2

About 2-bromo-5-[3-(4-methyl-3-pyridinyl)-1,2,4-oxadiazol-5-yl]aniline

2-bromo-5-[3-(4-methyl-3-pyridinyl)-1,2,4-oxadiazol-5-yl]aniline (PubChem CID 107813854) has the molecular formula C14H11BrN4O and a molecular weight of 331.17 g/mol. Its IUPAC name is 2-bromo-5-[3-(4-methyl-3-pyridinyl)-1,2,4-oxadiazol-5-yl]aniline.

Molecular Properties

Compound Name2-bromo-5-[3-(4-methyl-3-pyridinyl)-1,2,4-oxadiazol-5-yl]aniline
PubChem CID107813854
Molecular FormulaC14H11BrN4O
Molecular Weight331.17 g/mol
Exact Mass330.01
IUPAC Name2-bromo-5-[3-(4-methyl-3-pyridinyl)-1,2,4-oxadiazol-5-yl]aniline
SMILESCc1ccncc1-c1noc(-c2ccc(Br)c(N)c2)n1
InChIInChI=1S/C14H11BrN4O/c1-8-4-5-17-7-10(8)13-18-14(20-19-13)9-2-3-11(15)12(16)6-9/h2-7H,16H2,1H3
InChIKeyRWZUBMSDCYCRKL-UHFFFAOYSA-N
XLogP3.45
TPSA77.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.17
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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

2,4-dibromo-6-[3-(4-methyl-3-pyridinyl)-1,2,4-oxadiazol-5-yl]aniline
CID 114876714
N,2-dimethyl-5-[3-(4-methyl-3-pyridinyl)-1,2,4-oxadiazol-5-yl]aniline
CID 144545362
5-[3-(4-methyl-3-pyridinyl)-1,2,4-oxadiazol-5-yl]benzene-1,3-diol
CID 107707047
3-methyl-2-[3-(4-methyl-3-pyridinyl)-1,2,4-oxadiazol-5-yl]aniline
CID 114876623
2-methyl-5-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)aniline
CID 28539900
2-bromo-5-[3-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-5-yl]aniline
CID 107813758
2-bromo-5-[3-(2-chloro-4-fluorophenyl)-1,2,4-oxadiazol-5-yl]aniline
CID 107813740
2-amino-4-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]phenol
CID 136872205
2-[3-(4-methyl-3-pyridinyl)-1,2,4-oxadiazol-5-yl]benzene-1,4-diol
CID 136904315
2-methyl-4-[3-(3-methyl-4-pyridinyl)-1,2,4-oxadiazol-5-yl]phenol
CID 136751247
2-bromo-5-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]aniline
CID 107813735
N-methyl-4-[3-(3-methyl-4-pyridinyl)-1,2,4-oxadiazol-5-yl]aniline
CID 104698932

Frequently Asked Questions

What is the IUPAC name of 2-bromo-5-[3-(4-methyl-3-pyridinyl)-1,2,4-oxadiazol-5-yl]aniline?
The IUPAC name of 2-bromo-5-[3-(4-methyl-3-pyridinyl)-1,2,4-oxadiazol-5-yl]aniline (CID 107813854) is 2-bromo-5-[3-(4-methyl-3-pyridinyl)-1,2,4-oxadiazol-5-yl]aniline.
What is the SMILES notation for 2-bromo-5-[3-(4-methyl-3-pyridinyl)-1,2,4-oxadiazol-5-yl]aniline?
The canonical SMILES for 2-bromo-5-[3-(4-methyl-3-pyridinyl)-1,2,4-oxadiazol-5-yl]aniline is Cc1ccncc1-c1noc(-c2ccc(Br)c(N)c2)n1.
What is the InChIKey of 2-bromo-5-[3-(4-methyl-3-pyridinyl)-1,2,4-oxadiazol-5-yl]aniline?
The InChIKey is RWZUBMSDCYCRKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11BrN4O/c1-8-4-5-17-7-10(8)13-18-14(20-19-13)9-2-3-11(15)12(16)6-9/h2-7H,16H2,1H3.
What are the key properties of 2-bromo-5-[3-(4-methyl-3-pyridinyl)-1,2,4-oxadiazol-5-yl]aniline?
2-bromo-5-[3-(4-methyl-3-pyridinyl)-1,2,4-oxadiazol-5-yl]aniline has a molecular weight of 331.17 g/mol, XLogP of 3.45, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-5-[3-(4-methyl-3-pyridinyl)-1,2,4-oxadiazol-5-yl]aniline is sourced from PubChem (CID 107813854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).