N-[[5-[[ethyl(thiophen-2-ylmethyl)amino]methyl]-1,2-oxazol-3-yl]methyl]propan-1-amine

C15H23N3OS — CID 62463826

IUPACN-[[5-[[ethyl(thiophen-2-ylmethyl)amino]methyl]-1,2-oxazol-3-yl]methyl]propan-1-amine
SMILESCCCNCc1cc(CN(CC)Cc2cccs2)on1
InChIInChI=1S/C15H23N3OS/c1-3-7-16-10-13-9-14(19-17-13)11-18(4-2)12-15-6-5-8-20-15/h5-6,8-9,16H,3-4,7,10-12H2,1-2H3
InChIKeyCVKUBPGDHFCEHX-UHFFFAOYSA-N
MW293.44 g/mol
LogP3.26
Rot. Bonds9

About N-[[5-[[ethyl(thiophen-2-ylmethyl)amino]methyl]-1,2-oxazol-3-yl]methyl]propan-1-amine

N-[[5-[[ethyl(thiophen-2-ylmethyl)amino]methyl]-1,2-oxazol-3-yl]methyl]propan-1-amine (PubChem CID 62463826) has the molecular formula C15H23N3OS and a molecular weight of 293.44 g/mol. Its IUPAC name is N-[[5-[[ethyl(thiophen-2-ylmethyl)amino]methyl]-1,2-oxazol-3-yl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[5-[[ethyl(thiophen-2-ylmethyl)amino]methyl]-1,2-oxazol-3-yl]methyl]propan-1-amine
PubChem CID62463826
Molecular FormulaC15H23N3OS
Molecular Weight293.44 g/mol
Exact Mass293.16
IUPAC NameN-[[5-[[ethyl(thiophen-2-ylmethyl)amino]methyl]-1,2-oxazol-3-yl]methyl]propan-1-amine
SMILESCCCNCc1cc(CN(CC)Cc2cccs2)on1
InChIInChI=1S/C15H23N3OS/c1-3-7-16-10-13-9-14(19-17-13)11-18(4-2)12-15-6-5-8-20-15/h5-6,8-9,16H,3-4,7,10-12H2,1-2H3
InChIKeyCVKUBPGDHFCEHX-UHFFFAOYSA-N
XLogP3.26
TPSA41.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.44
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-[[5-[[ethyl(thiophen-2-ylmethyl)amino]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-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]-1,2-oxazol-3-yl]methyl]propan-1-amine
CID 62426085
N-[[5-[[bis(2-methoxyethyl)amino]methyl]-1,2-oxazol-3-yl]methyl]propan-1-amine
CID 62462478
N-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methyl]-1-thiophen-2-ylmethanamine
CID 66158513
N-[[5-[[methyl(thiophen-2-ylmethyl)amino]methyl]-1,2-oxazol-3-yl]methyl]propan-2-amine
CID 62420414
N,N-dimethyl-N'-(2-methylpropyl)-N'-[[3-(propylaminomethyl)-1,2-oxazol-5-yl]methyl]ethane-1,2-diamine
CID 62426996
N-[[5-[[(3-bromophenyl)methyl-methylamino]methyl]-1,2-oxazol-3-yl]methyl]propan-1-amine
CID 62463601
N-methyl-N-[[3-(propylaminomethyl)-1,2-oxazol-5-yl]methyl]pentan-3-amine
CID 62431740
N-[[3-(methylaminomethyl)-1,2-oxazol-5-yl]methyl]-N-(thiophen-2-ylmethyl)cyclopropanamine
CID 62411859
N-ethyl-N-[[3-(ethylaminomethyl)-1,2-oxazol-5-yl]methyl]-2-methylprop-2-en-1-amine
CID 62417271
N-[[5-[[ethyl(furan-2-ylmethyl)amino]methyl]-1,2-oxazol-3-yl]methyl]-2-methylpropan-1-amine
CID 62463168
N,3-dimethyl-N-[[3-(propylaminomethyl)-1,2-oxazol-5-yl]methyl]cyclohexan-1-amine
CID 62429692
3-fluoro-N-methyl-N-[[3-(propylaminomethyl)-1,2-oxazol-5-yl]methyl]aniline
CID 62461087

Frequently Asked Questions

What is the IUPAC name of N-[[5-[[ethyl(thiophen-2-ylmethyl)amino]methyl]-1,2-oxazol-3-yl]methyl]propan-1-amine?
The IUPAC name of N-[[5-[[ethyl(thiophen-2-ylmethyl)amino]methyl]-1,2-oxazol-3-yl]methyl]propan-1-amine (CID 62463826) is N-[[5-[[ethyl(thiophen-2-ylmethyl)amino]methyl]-1,2-oxazol-3-yl]methyl]propan-1-amine.
What is the SMILES notation for N-[[5-[[ethyl(thiophen-2-ylmethyl)amino]methyl]-1,2-oxazol-3-yl]methyl]propan-1-amine?
The canonical SMILES for N-[[5-[[ethyl(thiophen-2-ylmethyl)amino]methyl]-1,2-oxazol-3-yl]methyl]propan-1-amine is CCCNCc1cc(CN(CC)Cc2cccs2)on1.
What is the InChIKey of N-[[5-[[ethyl(thiophen-2-ylmethyl)amino]methyl]-1,2-oxazol-3-yl]methyl]propan-1-amine?
The InChIKey is CVKUBPGDHFCEHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3OS/c1-3-7-16-10-13-9-14(19-17-13)11-18(4-2)12-15-6-5-8-20-15/h5-6,8-9,16H,3-4,7,10-12H2,1-2H3.
What are the key properties of N-[[5-[[ethyl(thiophen-2-ylmethyl)amino]methyl]-1,2-oxazol-3-yl]methyl]propan-1-amine?
N-[[5-[[ethyl(thiophen-2-ylmethyl)amino]methyl]-1,2-oxazol-3-yl]methyl]propan-1-amine has a molecular weight of 293.44 g/mol, XLogP of 3.26, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-[[ethyl(thiophen-2-ylmethyl)amino]methyl]-1,2-oxazol-3-yl]methyl]propan-1-amine is sourced from PubChem (CID 62463826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).