3-[3-(4-benzyl-1,3-oxazol-5-yl)phenoxy]-N,N-dimethylpropan-1-amine

C21H24N2O2 — CID 163310411

IUPAC3-[3-(4-benzyl-1,3-oxazol-5-yl)phenoxy]-N,N-dimethylpropan-1-amine
SMILESCN(C)CCCOc1cccc(-c2ocnc2Cc2ccccc2)c1
InChIInChI=1S/C21H24N2O2/c1-23(2)12-7-13-24-19-11-6-10-18(15-19)21-20(22-16-25-21)14-17-8-4-3-5-9-17/h3-6,8-11,15-16H,7,12-14H2,1-2H3
InChIKeyJIZNJDCXEOMIEL-UHFFFAOYSA-N
MW336.44 g/mol
LogP4.26
Rot. Bonds8

About 3-[3-(4-benzyl-1,3-oxazol-5-yl)phenoxy]-N,N-dimethylpropan-1-amine

3-[3-(4-benzyl-1,3-oxazol-5-yl)phenoxy]-N,N-dimethylpropan-1-amine (PubChem CID 163310411) has the molecular formula C21H24N2O2 and a molecular weight of 336.44 g/mol. Its IUPAC name is 3-[3-(4-benzyl-1,3-oxazol-5-yl)phenoxy]-N,N-dimethylpropan-1-amine.

Molecular Properties

Compound Name3-[3-(4-benzyl-1,3-oxazol-5-yl)phenoxy]-N,N-dimethylpropan-1-amine
PubChem CID163310411
Molecular FormulaC21H24N2O2
Molecular Weight336.44 g/mol
Exact Mass336.18
IUPAC Name3-[3-(4-benzyl-1,3-oxazol-5-yl)phenoxy]-N,N-dimethylpropan-1-amine
SMILESCN(C)CCCOc1cccc(-c2ocnc2Cc2ccccc2)c1
InChIInChI=1S/C21H24N2O2/c1-23(2)12-7-13-24-19-11-6-10-18(15-19)21-20(22-16-25-21)14-17-8-4-3-5-9-17/h3-6,8-11,15-16H,7,12-14H2,1-2H3
InChIKeyJIZNJDCXEOMIEL-UHFFFAOYSA-N
XLogP4.26
TPSA38.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.44
LogP ≤ 54.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N,N-dimethyl-3-(3-phenylphenoxy)propan-1-amine
CID 21281267
1-[5-(4-benzyl-1,3-oxazol-5-yl)-2-methoxyphenyl]-N,N-dimethylmethanamine
CID 163307292
N,N-dimethyl-2-(3-phenylphenoxy)ethanamine
CID 14105422
N-[[5-(3-propoxyphenyl)-1,3-oxazol-4-yl]methyl]ethanamine
CID 79145437
3-[3-[2-(dimethylamino)ethoxy]phenyl]-N,N-dimethylpropan-1-amine
CID 170866732
2-[3-[3-(dimethylamino)propyl]phenoxy]ethanol
CID 170866152
N,N-dimethyl-3-phenoxypropan-1-amine;N,N-dimethyl-1-phenylmethanamine;ethane
CID 166529218
2-methoxy-N-[[5-(3-propoxyphenyl)-1,3-oxazol-4-yl]methyl]ethanamine
CID 79148073
3-(3-butoxyphenoxy)-N,N-dimethylpropan-1-amine
CID 2993413
2-[3-[2-[3-[2-(dimethylamino)ethoxy]phenyl]ethyl]phenoxy]-N,N-dimethylethanamine
CID 171715455
5-(3-propoxyphenyl)-1,3-oxazole-4-carboxylic acid
CID 62919017
3-[[7-benzyl-2-(3-methylphenyl)-3H-benzimidazol-5-yl]oxy]-N,N-dimethylpropan-1-amine
CID 67701938

Frequently Asked Questions

What is the IUPAC name of 3-[3-(4-benzyl-1,3-oxazol-5-yl)phenoxy]-N,N-dimethylpropan-1-amine?
The IUPAC name of 3-[3-(4-benzyl-1,3-oxazol-5-yl)phenoxy]-N,N-dimethylpropan-1-amine (CID 163310411) is 3-[3-(4-benzyl-1,3-oxazol-5-yl)phenoxy]-N,N-dimethylpropan-1-amine.
What is the SMILES notation for 3-[3-(4-benzyl-1,3-oxazol-5-yl)phenoxy]-N,N-dimethylpropan-1-amine?
The canonical SMILES for 3-[3-(4-benzyl-1,3-oxazol-5-yl)phenoxy]-N,N-dimethylpropan-1-amine is CN(C)CCCOc1cccc(-c2ocnc2Cc2ccccc2)c1.
What is the InChIKey of 3-[3-(4-benzyl-1,3-oxazol-5-yl)phenoxy]-N,N-dimethylpropan-1-amine?
The InChIKey is JIZNJDCXEOMIEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O2/c1-23(2)12-7-13-24-19-11-6-10-18(15-19)21-20(22-16-25-21)14-17-8-4-3-5-9-17/h3-6,8-11,15-16H,7,12-14H2,1-2H3.
What are the key properties of 3-[3-(4-benzyl-1,3-oxazol-5-yl)phenoxy]-N,N-dimethylpropan-1-amine?
3-[3-(4-benzyl-1,3-oxazol-5-yl)phenoxy]-N,N-dimethylpropan-1-amine has a molecular weight of 336.44 g/mol, XLogP of 4.26, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(4-benzyl-1,3-oxazol-5-yl)phenoxy]-N,N-dimethylpropan-1-amine is sourced from PubChem (CID 163310411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).