N-[[2-(2,4-dimethylphenyl)-1,3-oxazol-4-yl]methyl]-2-methoxyethanamine

C15H20N2O2 — CID 65287872

IUPACN-[[2-(2,4-dimethylphenyl)-1,3-oxazol-4-yl]methyl]-2-methoxyethanamine
SMILESCOCCNCc1coc(-c2ccc(C)cc2C)n1
InChIInChI=1S/C15H20N2O2/c1-11-4-5-14(12(2)8-11)15-17-13(10-19-15)9-16-6-7-18-3/h4-5,8,10,16H,6-7,9H2,1-3H3
InChIKeyPPNSYYFWSGTYMJ-UHFFFAOYSA-N
MW260.34 g/mol
LogP2.69
Rot. Bonds6

About N-[[2-(2,4-dimethylphenyl)-1,3-oxazol-4-yl]methyl]-2-methoxyethanamine

N-[[2-(2,4-dimethylphenyl)-1,3-oxazol-4-yl]methyl]-2-methoxyethanamine (PubChem CID 65287872) has the molecular formula C15H20N2O2 and a molecular weight of 260.34 g/mol. Its IUPAC name is N-[[2-(2,4-dimethylphenyl)-1,3-oxazol-4-yl]methyl]-2-methoxyethanamine.

Molecular Properties

Compound NameN-[[2-(2,4-dimethylphenyl)-1,3-oxazol-4-yl]methyl]-2-methoxyethanamine
PubChem CID65287872
Molecular FormulaC15H20N2O2
Molecular Weight260.34 g/mol
Exact Mass260.15
IUPAC NameN-[[2-(2,4-dimethylphenyl)-1,3-oxazol-4-yl]methyl]-2-methoxyethanamine
SMILESCOCCNCc1coc(-c2ccc(C)cc2C)n1
InChIInChI=1S/C15H20N2O2/c1-11-4-5-14(12(2)8-11)15-17-13(10-19-15)9-16-6-7-18-3/h4-5,8,10,16H,6-7,9H2,1-3H3
InChIKeyPPNSYYFWSGTYMJ-UHFFFAOYSA-N
XLogP2.69
TPSA47.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[[2-(2,5-dibromophenyl)-1,3-oxazol-4-yl]methyl]-2-methoxyethanamine
CID 114376121
N-[[2-(3-bromo-4-methylphenyl)-1,3-oxazol-4-yl]methyl]-2-methoxyethanamine
CID 81487721
2-methoxy-N-[(2-naphthalen-2-yl-1,3-oxazol-4-yl)methyl]ethanamine
CID 65288455
N-[[2-(2-ethoxyphenyl)-1,3-oxazol-4-yl]methyl]-2-methoxyethanamine
CID 65288161
N-[[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl]-2-methoxyethanamine
CID 60727772
2-methoxy-N-[(2-thieno[3,2-b]thiophen-5-yl-1,3-oxazol-4-yl)methyl]ethanamine
CID 80740331
2-methoxy-N-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]ethanamine
CID 60671128
N-[[2-(4-bromo-3-fluorophenyl)-1,3-oxazol-4-yl]methyl]-2-methoxyethanamine
CID 65293278
N-[[2-(3-bromo-4-methoxyphenyl)-1,3-oxazol-4-yl]methyl]-2-methoxyethanamine
CID 65287971
N-[[2-(3-bromothiophen-2-yl)-1,3-oxazol-4-yl]methyl]-2-methoxyethanamine
CID 65288355
N-[[2-(2-bromo-5-methylphenyl)-1,3-oxazol-4-yl]methyl]ethanamine
CID 81117236
1-[2-(2-methoxy-5-methylphenyl)-1,3-oxazol-4-yl]-N-methylmethanamine
CID 65287926

Frequently Asked Questions

What is the IUPAC name of N-[[2-(2,4-dimethylphenyl)-1,3-oxazol-4-yl]methyl]-2-methoxyethanamine?
The IUPAC name of N-[[2-(2,4-dimethylphenyl)-1,3-oxazol-4-yl]methyl]-2-methoxyethanamine (CID 65287872) is N-[[2-(2,4-dimethylphenyl)-1,3-oxazol-4-yl]methyl]-2-methoxyethanamine.
What is the SMILES notation for N-[[2-(2,4-dimethylphenyl)-1,3-oxazol-4-yl]methyl]-2-methoxyethanamine?
The canonical SMILES for N-[[2-(2,4-dimethylphenyl)-1,3-oxazol-4-yl]methyl]-2-methoxyethanamine is COCCNCc1coc(-c2ccc(C)cc2C)n1.
What is the InChIKey of N-[[2-(2,4-dimethylphenyl)-1,3-oxazol-4-yl]methyl]-2-methoxyethanamine?
The InChIKey is PPNSYYFWSGTYMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O2/c1-11-4-5-14(12(2)8-11)15-17-13(10-19-15)9-16-6-7-18-3/h4-5,8,10,16H,6-7,9H2,1-3H3.
What are the key properties of N-[[2-(2,4-dimethylphenyl)-1,3-oxazol-4-yl]methyl]-2-methoxyethanamine?
N-[[2-(2,4-dimethylphenyl)-1,3-oxazol-4-yl]methyl]-2-methoxyethanamine has a molecular weight of 260.34 g/mol, XLogP of 2.69, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(2,4-dimethylphenyl)-1,3-oxazol-4-yl]methyl]-2-methoxyethanamine is sourced from PubChem (CID 65287872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).