2-(2,5-dimethoxyphenyl)-N-[[2-(3-fluorophenyl)-1,3-oxazol-4-yl]methyl]ethanamine

C20H21FN2O3 — CID 56669444

IUPAC2-(2,5-dimethoxyphenyl)-N-[[2-(3-fluorophenyl)-1,3-oxazol-4-yl]methyl]ethanamine
SMILESCOc1ccc(OC)c(CCNCc2coc(-c3cccc(F)c3)n2)c1
InChIInChI=1S/C20H21FN2O3/c1-24-18-6-7-19(25-2)14(11-18)8-9-22-12-17-13-26-20(23-17)15-4-3-5-16(21)10-15/h3-7,10-11,13,22H,8-9,12H2,1-2H3
InChIKeyUEJRBTFMJKKXNR-UHFFFAOYSA-N
MW356.40 g/mol
LogP3.83
Rot. Bonds8

About 2-(2,5-dimethoxyphenyl)-N-[[2-(3-fluorophenyl)-1,3-oxazol-4-yl]methyl]ethanamine

2-(2,5-dimethoxyphenyl)-N-[[2-(3-fluorophenyl)-1,3-oxazol-4-yl]methyl]ethanamine (PubChem CID 56669444) has the molecular formula C20H21FN2O3 and a molecular weight of 356.40 g/mol. Its IUPAC name is 2-(2,5-dimethoxyphenyl)-N-[[2-(3-fluorophenyl)-1,3-oxazol-4-yl]methyl]ethanamine.

Molecular Properties

Compound Name2-(2,5-dimethoxyphenyl)-N-[[2-(3-fluorophenyl)-1,3-oxazol-4-yl]methyl]ethanamine
PubChem CID56669444
Molecular FormulaC20H21FN2O3
Molecular Weight356.40 g/mol
Exact Mass356.15
IUPAC Name2-(2,5-dimethoxyphenyl)-N-[[2-(3-fluorophenyl)-1,3-oxazol-4-yl]methyl]ethanamine
SMILESCOc1ccc(OC)c(CCNCc2coc(-c3cccc(F)c3)n2)c1
InChIInChI=1S/C20H21FN2O3/c1-24-18-6-7-19(25-2)14(11-18)8-9-22-12-17-13-26-20(23-17)15-4-3-5-16(21)10-15/h3-7,10-11,13,22H,8-9,12H2,1-2H3
InChIKeyUEJRBTFMJKKXNR-UHFFFAOYSA-N
XLogP3.83
TPSA56.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.40
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dimethoxyphenyl)-N-[[2-(3-fluorophenyl)-1,3-oxazol-4-yl]methyl]ethanamine?
The IUPAC name of 2-(2,5-dimethoxyphenyl)-N-[[2-(3-fluorophenyl)-1,3-oxazol-4-yl]methyl]ethanamine (CID 56669444) is 2-(2,5-dimethoxyphenyl)-N-[[2-(3-fluorophenyl)-1,3-oxazol-4-yl]methyl]ethanamine.
What is the SMILES notation for 2-(2,5-dimethoxyphenyl)-N-[[2-(3-fluorophenyl)-1,3-oxazol-4-yl]methyl]ethanamine?
The canonical SMILES for 2-(2,5-dimethoxyphenyl)-N-[[2-(3-fluorophenyl)-1,3-oxazol-4-yl]methyl]ethanamine is COc1ccc(OC)c(CCNCc2coc(-c3cccc(F)c3)n2)c1.
What is the InChIKey of 2-(2,5-dimethoxyphenyl)-N-[[2-(3-fluorophenyl)-1,3-oxazol-4-yl]methyl]ethanamine?
The InChIKey is UEJRBTFMJKKXNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21FN2O3/c1-24-18-6-7-19(25-2)14(11-18)8-9-22-12-17-13-26-20(23-17)15-4-3-5-16(21)10-15/h3-7,10-11,13,22H,8-9,12H2,1-2H3.
What are the key properties of 2-(2,5-dimethoxyphenyl)-N-[[2-(3-fluorophenyl)-1,3-oxazol-4-yl]methyl]ethanamine?
2-(2,5-dimethoxyphenyl)-N-[[2-(3-fluorophenyl)-1,3-oxazol-4-yl]methyl]ethanamine has a molecular weight of 356.40 g/mol, XLogP of 3.83, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dimethoxyphenyl)-N-[[2-(3-fluorophenyl)-1,3-oxazol-4-yl]methyl]ethanamine is sourced from PubChem (CID 56669444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).