1-[5-[(4-bromophenyl)methyl]-1,3,4-oxadiazol-2-yl]-N-methylmethanamine

C11H12BrN3O — CID 62139028

IUPAC1-[5-[(4-bromophenyl)methyl]-1,3,4-oxadiazol-2-yl]-N-methylmethanamine
SMILESCNCc1nnc(Cc2ccc(Br)cc2)o1
InChIInChI=1S/C11H12BrN3O/c1-13-7-11-15-14-10(16-11)6-8-2-4-9(12)5-3-8/h2-5,13H,6-7H2,1H3
InChIKeyPATZMSJZRPRLOD-UHFFFAOYSA-N
MW282.14 g/mol
LogP2.14
Rot. Bonds4

About 1-[5-[(4-bromophenyl)methyl]-1,3,4-oxadiazol-2-yl]-N-methylmethanamine

1-[5-[(4-bromophenyl)methyl]-1,3,4-oxadiazol-2-yl]-N-methylmethanamine (PubChem CID 62139028) has the molecular formula C11H12BrN3O and a molecular weight of 282.14 g/mol. Its IUPAC name is 1-[5-[(4-bromophenyl)methyl]-1,3,4-oxadiazol-2-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[5-[(4-bromophenyl)methyl]-1,3,4-oxadiazol-2-yl]-N-methylmethanamine
PubChem CID62139028
Molecular FormulaC11H12BrN3O
Molecular Weight282.14 g/mol
Exact Mass281.02
IUPAC Name1-[5-[(4-bromophenyl)methyl]-1,3,4-oxadiazol-2-yl]-N-methylmethanamine
SMILESCNCc1nnc(Cc2ccc(Br)cc2)o1
InChIInChI=1S/C11H12BrN3O/c1-13-7-11-15-14-10(16-11)6-8-2-4-9(12)5-3-8/h2-5,13H,6-7H2,1H3
InChIKeyPATZMSJZRPRLOD-UHFFFAOYSA-N
XLogP2.14
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.14
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

CID 71563561
CID 71563561
CID 139226153
CID 139226153
CID 55039129
CID 55039129
CID 55039497
CID 55039497
CID 55039498
CID 55039498
CID 62136688
CID 62136688
CID 62137046
CID 62137046
CID 62137548
CID 62137548
CID 62137557
CID 62137557
CID 62137777
CID 62137777
CID 62137915
CID 62137915
CID 62138150
CID 62138150

Frequently Asked Questions

What is the IUPAC name of 1-[5-[(4-bromophenyl)methyl]-1,3,4-oxadiazol-2-yl]-N-methylmethanamine?
The IUPAC name of 1-[5-[(4-bromophenyl)methyl]-1,3,4-oxadiazol-2-yl]-N-methylmethanamine (CID 62139028) is 1-[5-[(4-bromophenyl)methyl]-1,3,4-oxadiazol-2-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[5-[(4-bromophenyl)methyl]-1,3,4-oxadiazol-2-yl]-N-methylmethanamine?
The canonical SMILES for 1-[5-[(4-bromophenyl)methyl]-1,3,4-oxadiazol-2-yl]-N-methylmethanamine is CNCc1nnc(Cc2ccc(Br)cc2)o1.
What is the InChIKey of 1-[5-[(4-bromophenyl)methyl]-1,3,4-oxadiazol-2-yl]-N-methylmethanamine?
The InChIKey is PATZMSJZRPRLOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12BrN3O/c1-13-7-11-15-14-10(16-11)6-8-2-4-9(12)5-3-8/h2-5,13H,6-7H2,1H3.
What are the key properties of 1-[5-[(4-bromophenyl)methyl]-1,3,4-oxadiazol-2-yl]-N-methylmethanamine?
1-[5-[(4-bromophenyl)methyl]-1,3,4-oxadiazol-2-yl]-N-methylmethanamine has a molecular weight of 282.14 g/mol, XLogP of 2.14, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[(4-bromophenyl)methyl]-1,3,4-oxadiazol-2-yl]-N-methylmethanamine is sourced from PubChem (CID 62139028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).