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

C11H12BrN3O2 — CID 114015385

IUPAC3-bromo-5-methoxy-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]aniline
SMILESCOc1cc(Br)cc(NCc2nnc(C)o2)c1
InChIInChI=1S/C11H12BrN3O2/c1-7-14-15-11(17-7)6-13-9-3-8(12)4-10(5-9)16-2/h3-5,13H,6H2,1-2H3
InChIKeyPFPOONFTOAPAQO-UHFFFAOYSA-N
MW298.14 g/mol
LogP2.76
Rot. Bonds4

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

3-bromo-5-methoxy-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]aniline (PubChem CID 114015385) has the molecular formula C11H12BrN3O2 and a molecular weight of 298.14 g/mol. Its IUPAC name is 3-bromo-5-methoxy-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]aniline.

Molecular Properties

Compound Name3-bromo-5-methoxy-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]aniline
PubChem CID114015385
Molecular FormulaC11H12BrN3O2
Molecular Weight298.14 g/mol
Exact Mass297.01
IUPAC Name3-bromo-5-methoxy-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]aniline
SMILESCOc1cc(Br)cc(NCc2nnc(C)o2)c1
InChIInChI=1S/C11H12BrN3O2/c1-7-14-15-11(17-7)6-13-9-3-8(12)4-10(5-9)16-2/h3-5,13H,6H2,1-2H3
InChIKeyPFPOONFTOAPAQO-UHFFFAOYSA-N
XLogP2.76
TPSA60.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.14
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

3,4,5-trifluoro-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]aniline
CID 114015357
3-bromo-N-[(2,6-dimethylphenyl)methyl]-5-methoxyaniline
CID 82868424
3-bromo-5-methoxy-N-[(5-methyl-3-pyridinyl)methyl]aniline
CID 102881005
2,4-dimethoxy-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]aniline
CID 110651599
3-bromo-N-[(4,6-dimethoxypyrimidin-5-yl)methyl]-5-methoxyaniline
CID 82860183
2-fluoro-5-methoxy-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]aniline
CID 107914730
3-bromo-5-methoxy-N-[(1-methyltriazol-4-yl)methyl]aniline
CID 82858152
3,5-dichloro-4-fluoro-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]aniline
CID 107914951
3-bromo-N-[(4-iodophenyl)methyl]-5-methoxyaniline
CID 82868129
3-bromo-N-[(6-bromo-1,3-benzodioxol-5-yl)methyl]-5-methoxyaniline
CID 82860190
3-bromo-N-[(2-chloro-4-methylphenyl)methyl]-5-methoxyaniline
CID 106863048
ethane;N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]aniline
CID 143900206

Frequently Asked Questions

What is the IUPAC name of 3-bromo-5-methoxy-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]aniline?
The IUPAC name of 3-bromo-5-methoxy-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]aniline (CID 114015385) is 3-bromo-5-methoxy-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]aniline.
What is the SMILES notation for 3-bromo-5-methoxy-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]aniline?
The canonical SMILES for 3-bromo-5-methoxy-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]aniline is COc1cc(Br)cc(NCc2nnc(C)o2)c1.
What is the InChIKey of 3-bromo-5-methoxy-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]aniline?
The InChIKey is PFPOONFTOAPAQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12BrN3O2/c1-7-14-15-11(17-7)6-13-9-3-8(12)4-10(5-9)16-2/h3-5,13H,6H2,1-2H3.
What are the key properties of 3-bromo-5-methoxy-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]aniline?
3-bromo-5-methoxy-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]aniline has a molecular weight of 298.14 g/mol, XLogP of 2.76, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-5-methoxy-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]aniline is sourced from PubChem (CID 114015385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).