1-(5-bromo-2,3-dihydro-1-benzofuran-2-yl)-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]methanamine

C13H14BrN3O2 — CID 106398382

IUPAC1-(5-bromo-2,3-dihydro-1-benzofuran-2-yl)-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]methanamine
SMILESCc1nc(CNCC2Cc3cc(Br)ccc3O2)no1
InChIInChI=1S/C13H14BrN3O2/c1-8-16-13(17-19-8)7-15-6-11-5-9-4-10(14)2-3-12(9)18-11/h2-4,11,15H,5-7H2,1H3
InChIKeyMHWUIOADRBARKY-UHFFFAOYSA-N
MW324.18 g/mol
LogP2.23
Rot. Bonds4

About 1-(5-bromo-2,3-dihydro-1-benzofuran-2-yl)-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]methanamine

1-(5-bromo-2,3-dihydro-1-benzofuran-2-yl)-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]methanamine (PubChem CID 106398382) has the molecular formula C13H14BrN3O2 and a molecular weight of 324.18 g/mol. Its IUPAC name is 1-(5-bromo-2,3-dihydro-1-benzofuran-2-yl)-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]methanamine.

Molecular Properties

Compound Name1-(5-bromo-2,3-dihydro-1-benzofuran-2-yl)-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]methanamine
PubChem CID106398382
Molecular FormulaC13H14BrN3O2
Molecular Weight324.18 g/mol
Exact Mass323.03
IUPAC Name1-(5-bromo-2,3-dihydro-1-benzofuran-2-yl)-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]methanamine
SMILESCc1nc(CNCC2Cc3cc(Br)ccc3O2)no1
InChIInChI=1S/C13H14BrN3O2/c1-8-16-13(17-19-8)7-15-6-11-5-9-4-10(14)2-3-12(9)18-11/h2-4,11,15H,5-7H2,1H3
InChIKeyMHWUIOADRBARKY-UHFFFAOYSA-N
XLogP2.23
TPSA60.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.18
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

1-(5-chloro-2,3-dihydro-1-benzofuran-2-yl)-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]methanamine
CID 106398513
1-(5-bromo-2,3-dihydro-1-benzofuran-2-yl)-N-[(3-methyl-1,2-oxazol-5-yl)methyl]methanamine
CID 66392991
N-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]-2-(5-methyl-1,2,4-oxadiazol-3-yl)ethanamine
CID 106416267
1-(5-bromo-2,3-dihydro-1-benzofuran-2-yl)-N-[(2-methylpyrimidin-4-yl)methyl]methanamine
CID 66391420
1-(5-bromo-2,3-dihydro-1-benzofuran-2-yl)-N-[(4-ethylphenyl)methyl]methanamine
CID 106899706
N-[(5-bromo-2,3-dihydro-1-benzofuran-2-yl)methyl]propan-1-amine
CID 66393927
1-N-[(5-bromo-2,3-dihydro-1-benzofuran-2-yl)methyl]-2-N,2-N,2-trimethylpropane-1,2-diamine
CID 66394154
N-[(5-bromo-2,3-dihydro-1-benzofuran-2-yl)methyl]-2-propan-2-yloxyethanamine
CID 104760212
2,6-dibromo-N-[(5-bromo-2,3-dihydro-1-benzofuran-2-yl)methyl]-4-methylaniline
CID 66393732
3-[(5-bromo-2,3-dihydro-1-benzofuran-2-yl)methylamino]-2,2-dimethylpropan-1-ol
CID 113293881
N-[(4-bromothiophen-2-yl)methyl]-1-(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methanamine
CID 66362511
1-(5-methyl-2,3-dihydro-1-benzofuran-2-yl)-N-[(3-methyl-1,2-oxazol-5-yl)methyl]methanamine
CID 66361354

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-2,3-dihydro-1-benzofuran-2-yl)-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]methanamine?
The IUPAC name of 1-(5-bromo-2,3-dihydro-1-benzofuran-2-yl)-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]methanamine (CID 106398382) is 1-(5-bromo-2,3-dihydro-1-benzofuran-2-yl)-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]methanamine.
What is the SMILES notation for 1-(5-bromo-2,3-dihydro-1-benzofuran-2-yl)-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]methanamine?
The canonical SMILES for 1-(5-bromo-2,3-dihydro-1-benzofuran-2-yl)-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]methanamine is Cc1nc(CNCC2Cc3cc(Br)ccc3O2)no1.
What is the InChIKey of 1-(5-bromo-2,3-dihydro-1-benzofuran-2-yl)-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]methanamine?
The InChIKey is MHWUIOADRBARKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14BrN3O2/c1-8-16-13(17-19-8)7-15-6-11-5-9-4-10(14)2-3-12(9)18-11/h2-4,11,15H,5-7H2,1H3.
What are the key properties of 1-(5-bromo-2,3-dihydro-1-benzofuran-2-yl)-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]methanamine?
1-(5-bromo-2,3-dihydro-1-benzofuran-2-yl)-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]methanamine has a molecular weight of 324.18 g/mol, XLogP of 2.23, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromo-2,3-dihydro-1-benzofuran-2-yl)-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]methanamine is sourced from PubChem (CID 106398382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).