N-[[5-[[(3-bromophenyl)methyl-methylamino]methyl]-1,2-oxazol-3-yl]methyl]propan-1-amine

C16H22BrN3O — CID 62463601

IUPACN-[[5-[[(3-bromophenyl)methyl-methylamino]methyl]-1,2-oxazol-3-yl]methyl]propan-1-amine
SMILESCCCNCc1cc(CN(C)Cc2cccc(Br)c2)on1
InChIInChI=1S/C16H22BrN3O/c1-3-7-18-10-15-9-16(21-19-15)12-20(2)11-13-5-4-6-14(17)8-13/h4-6,8-9,18H,3,7,10-12H2,1-2H3
InChIKeyMPNIOXHYRMGNJU-UHFFFAOYSA-N
MW352.28 g/mol
LogP3.57
Rot. Bonds8

About N-[[5-[[(3-bromophenyl)methyl-methylamino]methyl]-1,2-oxazol-3-yl]methyl]propan-1-amine

N-[[5-[[(3-bromophenyl)methyl-methylamino]methyl]-1,2-oxazol-3-yl]methyl]propan-1-amine (PubChem CID 62463601) has the molecular formula C16H22BrN3O and a molecular weight of 352.28 g/mol. Its IUPAC name is N-[[5-[[(3-bromophenyl)methyl-methylamino]methyl]-1,2-oxazol-3-yl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[5-[[(3-bromophenyl)methyl-methylamino]methyl]-1,2-oxazol-3-yl]methyl]propan-1-amine
PubChem CID62463601
Molecular FormulaC16H22BrN3O
Molecular Weight352.28 g/mol
Exact Mass351.09
IUPAC NameN-[[5-[[(3-bromophenyl)methyl-methylamino]methyl]-1,2-oxazol-3-yl]methyl]propan-1-amine
SMILESCCCNCc1cc(CN(C)Cc2cccc(Br)c2)on1
InChIInChI=1S/C16H22BrN3O/c1-3-7-18-10-15-9-16(21-19-15)12-20(2)11-13-5-4-6-14(17)8-13/h4-6,8-9,18H,3,7,10-12H2,1-2H3
InChIKeyMPNIOXHYRMGNJU-UHFFFAOYSA-N
XLogP3.57
TPSA41.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.28
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-[[5-[[(3-bromophenyl)methyl-methylamino]methyl]-1,2-oxazol-3-yl]methyl]propan-1-amine 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

N-[[5-[[(3-bromophenyl)methyl-methylamino]methyl]-1,2-oxazol-3-yl]methyl]ethanamine
CID 62463600
3-fluoro-N-methyl-N-[[3-(propylaminomethyl)-1,2-oxazol-5-yl]methyl]aniline
CID 62461087
N-[[5-[[methyl-[(1-methylimidazol-2-yl)methyl]amino]methyl]-1,2-oxazol-3-yl]methyl]propan-1-amine
CID 63026882
N-[(3-bromophenyl)methyl]-N-methyl-6-(propylaminomethyl)pyrazin-2-amine
CID 66449274
N-methyl-N-[[3-(propylaminomethyl)-1,2-oxazol-5-yl]methyl]pentan-3-amine
CID 62431740
N-[[5-[[ethyl(thiophen-2-ylmethyl)amino]methyl]-1,2-oxazol-3-yl]methyl]propan-1-amine
CID 62463826
N-[[3-[[ethyl(methyl)amino]methyl]phenyl]methyl]propan-1-amine
CID 62419099
N-[[5-[[methyl(oxan-2-ylmethyl)amino]methyl]-1,2-oxazol-3-yl]methyl]propan-1-amine
CID 62430126
N-[[5-[[(3-fluorophenyl)methyl-methylamino]methyl]furan-2-yl]methyl]propan-1-amine
CID 62419238
N-[(3-bromophenyl)methyl]-2-ethyl-N,2-dimethyl-N'-propylpropane-1,3-diamine
CID 63494839
1-[5-[[(3-bromophenyl)methyl-methylamino]methyl]-2-methylfuran-3-yl]-N-methylmethanamine
CID 62462530
N,3-dimethyl-N-[[3-(propylaminomethyl)-1,2-oxazol-5-yl]methyl]cyclohexan-1-amine
CID 62429692

Frequently Asked Questions

What is the IUPAC name of N-[[5-[[(3-bromophenyl)methyl-methylamino]methyl]-1,2-oxazol-3-yl]methyl]propan-1-amine?
The IUPAC name of N-[[5-[[(3-bromophenyl)methyl-methylamino]methyl]-1,2-oxazol-3-yl]methyl]propan-1-amine (CID 62463601) is N-[[5-[[(3-bromophenyl)methyl-methylamino]methyl]-1,2-oxazol-3-yl]methyl]propan-1-amine.
What is the SMILES notation for N-[[5-[[(3-bromophenyl)methyl-methylamino]methyl]-1,2-oxazol-3-yl]methyl]propan-1-amine?
The canonical SMILES for N-[[5-[[(3-bromophenyl)methyl-methylamino]methyl]-1,2-oxazol-3-yl]methyl]propan-1-amine is CCCNCc1cc(CN(C)Cc2cccc(Br)c2)on1.
What is the InChIKey of N-[[5-[[(3-bromophenyl)methyl-methylamino]methyl]-1,2-oxazol-3-yl]methyl]propan-1-amine?
The InChIKey is MPNIOXHYRMGNJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22BrN3O/c1-3-7-18-10-15-9-16(21-19-15)12-20(2)11-13-5-4-6-14(17)8-13/h4-6,8-9,18H,3,7,10-12H2,1-2H3.
What are the key properties of N-[[5-[[(3-bromophenyl)methyl-methylamino]methyl]-1,2-oxazol-3-yl]methyl]propan-1-amine?
N-[[5-[[(3-bromophenyl)methyl-methylamino]methyl]-1,2-oxazol-3-yl]methyl]propan-1-amine has a molecular weight of 352.28 g/mol, XLogP of 3.57, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-[[(3-bromophenyl)methyl-methylamino]methyl]-1,2-oxazol-3-yl]methyl]propan-1-amine is sourced from PubChem (CID 62463601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).