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

C11H12BrN3O2 — CID 63047206

IUPAC[3-bromo-4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]methanamine
SMILESCc1nc(COc2ccc(CN)cc2Br)no1
InChIInChI=1S/C11H12BrN3O2/c1-7-14-11(15-17-7)6-16-10-3-2-8(5-13)4-9(10)12/h2-4H,5-6,13H2,1H3
InChIKeyIAMGSFUJTDTVJX-UHFFFAOYSA-N
MW298.14 g/mol
LogP2.18
Rot. Bonds4

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

[3-bromo-4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]methanamine (PubChem CID 63047206) has the molecular formula C11H12BrN3O2 and a molecular weight of 298.14 g/mol. Its IUPAC name is [3-bromo-4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]methanamine.

Molecular Properties

Compound Name[3-bromo-4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]methanamine
PubChem CID63047206
Molecular FormulaC11H12BrN3O2
Molecular Weight298.14 g/mol
Exact Mass297.01
IUPAC Name[3-bromo-4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]methanamine
SMILESCc1nc(COc2ccc(CN)cc2Br)no1
InChIInChI=1S/C11H12BrN3O2/c1-7-14-11(15-17-7)6-16-10-3-2-8(5-13)4-9(10)12/h2-4H,5-6,13H2,1H3
InChIKeyIAMGSFUJTDTVJX-UHFFFAOYSA-N
XLogP2.18
TPSA74.17 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 ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]-3-nitrophenyl]methanamine
CID 60880389
[3-bromo-4-[(3-methyl-1,2-oxazol-5-yl)methoxy]phenyl]methanamine
CID 63044789
2-[3,5-dibromo-4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]ethanamine
CID 107739575
1-[5-bromo-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]ethanamine
CID 62370024
[3-bromo-4-(1,2-oxazol-5-ylmethoxy)phenyl]methanamine
CID 63047028
[3-bromo-4-[(3-bromo-4-methoxyphenyl)methoxy]phenyl]methanamine
CID 63045813
[3-bromo-4-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]methanamine
CID 63044787
1-[3-fluoro-4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]propan-2-amine
CID 107693169
2-[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]ethanamine
CID 54931053
3-[(2-bromo-4-methylphenoxy)methyl]-5-ethyl-1,2,4-oxadiazole
CID 54959293
2-[6-methyl-3-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]-2-pyridinyl]ethanamine
CID 79169644
N-[[3-bromo-4-[(5-propyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]methyl]ethanamine
CID 63045842

Frequently Asked Questions

What is the IUPAC name of [3-bromo-4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]methanamine?
The IUPAC name of [3-bromo-4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]methanamine (CID 63047206) is [3-bromo-4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]methanamine.
What is the SMILES notation for [3-bromo-4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]methanamine?
The canonical SMILES for [3-bromo-4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]methanamine is Cc1nc(COc2ccc(CN)cc2Br)no1.
What is the InChIKey of [3-bromo-4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]methanamine?
The InChIKey is IAMGSFUJTDTVJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12BrN3O2/c1-7-14-11(15-17-7)6-16-10-3-2-8(5-13)4-9(10)12/h2-4H,5-6,13H2,1H3.
What are the key properties of [3-bromo-4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]methanamine?
[3-bromo-4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]methanamine has a molecular weight of 298.14 g/mol, XLogP of 2.18, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-bromo-4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]methanamine is sourced from PubChem (CID 63047206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).