N-[[5-[(3-chlorophenoxy)methyl]-1,2-oxazol-3-yl]methyl]-2-methylpropan-1-amine

C15H19ClN2O2 — CID 62460276

IUPACN-[[5-[(3-chlorophenoxy)methyl]-1,2-oxazol-3-yl]methyl]-2-methylpropan-1-amine
SMILESCC(C)CNCc1cc(COc2cccc(Cl)c2)on1
InChIInChI=1S/C15H19ClN2O2/c1-11(2)8-17-9-13-7-15(20-18-13)10-19-14-5-3-4-12(16)6-14/h3-7,11,17H,8-10H2,1-2H3
InChIKeyVBLSSQQOGRKZEO-UHFFFAOYSA-N
MW294.78 g/mol
LogP3.65
Rot. Bonds7

About N-[[5-[(3-chlorophenoxy)methyl]-1,2-oxazol-3-yl]methyl]-2-methylpropan-1-amine

N-[[5-[(3-chlorophenoxy)methyl]-1,2-oxazol-3-yl]methyl]-2-methylpropan-1-amine (PubChem CID 62460276) has the molecular formula C15H19ClN2O2 and a molecular weight of 294.78 g/mol. Its IUPAC name is N-[[5-[(3-chlorophenoxy)methyl]-1,2-oxazol-3-yl]methyl]-2-methylpropan-1-amine.

Molecular Properties

Compound NameN-[[5-[(3-chlorophenoxy)methyl]-1,2-oxazol-3-yl]methyl]-2-methylpropan-1-amine
PubChem CID62460276
Molecular FormulaC15H19ClN2O2
Molecular Weight294.78 g/mol
Exact Mass294.11
IUPAC NameN-[[5-[(3-chlorophenoxy)methyl]-1,2-oxazol-3-yl]methyl]-2-methylpropan-1-amine
SMILESCC(C)CNCc1cc(COc2cccc(Cl)c2)on1
InChIInChI=1S/C15H19ClN2O2/c1-11(2)8-17-9-13-7-15(20-18-13)10-19-14-5-3-4-12(16)6-14/h3-7,11,17H,8-10H2,1-2H3
InChIKeyVBLSSQQOGRKZEO-UHFFFAOYSA-N
XLogP3.65
TPSA47.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.78
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[[5-[(3-chlorophenoxy)methyl]-1,2-oxazol-3-yl]methyl]-2-methylpropan-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-ethoxyphenoxy)methyl]-1,2-oxazol-3-yl]methyl]ethanamine
CID 62443165
N-[[5-[(3-ethoxyphenoxy)methyl]-1,2-oxazol-3-yl]methyl]propan-2-amine
CID 62440455
2-methyl-N-[[5-(propan-2-yloxymethyl)-1,2-oxazol-3-yl]methyl]propan-1-amine
CID 62455406
N-[[5-[(3-fluorophenoxy)methyl]-1,2-oxazol-3-yl]methyl]propan-1-amine
CID 62459222
N-[[5-[(2,4-difluorophenoxy)methyl]-1,2-oxazol-3-yl]methyl]-2-methylpropan-1-amine
CID 62450542
1-[5-[(3-fluorophenoxy)methyl]-1,2-oxazol-3-yl]-N-methylmethanamine
CID 62459221
2-methyl-N-[[5-(1-phenylethoxymethyl)-1,2-oxazol-3-yl]methyl]propan-1-amine
CID 62444006
N-[[5-[(3-ethylphenoxy)methyl]-1,2-oxazol-3-yl]methyl]ethanamine
CID 62450321
N-[[5-[(3-bromophenoxy)methyl]-1,2-oxazol-3-yl]methyl]propan-2-amine
CID 62460442
N-[[5-[(3-fluorophenoxy)methyl]-1,2-oxazol-3-yl]methyl]-2-methylpropan-2-amine
CID 62459392
N-[[5-[[3-(methoxymethyl)phenoxy]methyl]-1,2-oxazol-3-yl]methyl]ethanamine
CID 63985026
5-[(3-chlorophenoxy)methyl]-N-(2-methylpropyl)furan-2-carboxamide
CID 19446135

Frequently Asked Questions

What is the IUPAC name of N-[[5-[(3-chlorophenoxy)methyl]-1,2-oxazol-3-yl]methyl]-2-methylpropan-1-amine?
The IUPAC name of N-[[5-[(3-chlorophenoxy)methyl]-1,2-oxazol-3-yl]methyl]-2-methylpropan-1-amine (CID 62460276) is N-[[5-[(3-chlorophenoxy)methyl]-1,2-oxazol-3-yl]methyl]-2-methylpropan-1-amine.
What is the SMILES notation for N-[[5-[(3-chlorophenoxy)methyl]-1,2-oxazol-3-yl]methyl]-2-methylpropan-1-amine?
The canonical SMILES for N-[[5-[(3-chlorophenoxy)methyl]-1,2-oxazol-3-yl]methyl]-2-methylpropan-1-amine is CC(C)CNCc1cc(COc2cccc(Cl)c2)on1.
What is the InChIKey of N-[[5-[(3-chlorophenoxy)methyl]-1,2-oxazol-3-yl]methyl]-2-methylpropan-1-amine?
The InChIKey is VBLSSQQOGRKZEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClN2O2/c1-11(2)8-17-9-13-7-15(20-18-13)10-19-14-5-3-4-12(16)6-14/h3-7,11,17H,8-10H2,1-2H3.
What are the key properties of N-[[5-[(3-chlorophenoxy)methyl]-1,2-oxazol-3-yl]methyl]-2-methylpropan-1-amine?
N-[[5-[(3-chlorophenoxy)methyl]-1,2-oxazol-3-yl]methyl]-2-methylpropan-1-amine has a molecular weight of 294.78 g/mol, XLogP of 3.65, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-[(3-chlorophenoxy)methyl]-1,2-oxazol-3-yl]methyl]-2-methylpropan-1-amine is sourced from PubChem (CID 62460276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).