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

C19H19FN2O2 — CID 56662489

IUPACN-[[2-(3-fluorophenyl)-1,3-oxazol-4-yl]methyl]-2-(3-methoxyphenyl)ethanamine
SMILESCOc1cccc(CCNCc2coc(-c3cccc(F)c3)n2)c1
InChIInChI=1S/C19H19FN2O2/c1-23-18-7-2-4-14(10-18)8-9-21-12-17-13-24-19(22-17)15-5-3-6-16(20)11-15/h2-7,10-11,13,21H,8-9,12H2,1H3
InChIKeyZCPQNGFGQPKGSN-UHFFFAOYSA-N
MW326.37 g/mol
LogP3.82
Rot. Bonds7

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

N-[[2-(3-fluorophenyl)-1,3-oxazol-4-yl]methyl]-2-(3-methoxyphenyl)ethanamine (PubChem CID 56662489) has the molecular formula C19H19FN2O2 and a molecular weight of 326.37 g/mol. Its IUPAC name is N-[[2-(3-fluorophenyl)-1,3-oxazol-4-yl]methyl]-2-(3-methoxyphenyl)ethanamine.

Molecular Properties

Compound NameN-[[2-(3-fluorophenyl)-1,3-oxazol-4-yl]methyl]-2-(3-methoxyphenyl)ethanamine
PubChem CID56662489
Molecular FormulaC19H19FN2O2
Molecular Weight326.37 g/mol
Exact Mass326.14
IUPAC NameN-[[2-(3-fluorophenyl)-1,3-oxazol-4-yl]methyl]-2-(3-methoxyphenyl)ethanamine
SMILESCOc1cccc(CCNCc2coc(-c3cccc(F)c3)n2)c1
InChIInChI=1S/C19H19FN2O2/c1-23-18-7-2-4-14(10-18)8-9-21-12-17-13-24-19(22-17)15-5-3-6-16(20)11-15/h2-7,10-11,13,21H,8-9,12H2,1H3
InChIKeyZCPQNGFGQPKGSN-UHFFFAOYSA-N
XLogP3.82
TPSA47.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.37
LogP ≤ 53.82
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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Frequently Asked Questions

What is the IUPAC name of N-[[2-(3-fluorophenyl)-1,3-oxazol-4-yl]methyl]-2-(3-methoxyphenyl)ethanamine?
The IUPAC name of N-[[2-(3-fluorophenyl)-1,3-oxazol-4-yl]methyl]-2-(3-methoxyphenyl)ethanamine (CID 56662489) is N-[[2-(3-fluorophenyl)-1,3-oxazol-4-yl]methyl]-2-(3-methoxyphenyl)ethanamine.
What is the SMILES notation for N-[[2-(3-fluorophenyl)-1,3-oxazol-4-yl]methyl]-2-(3-methoxyphenyl)ethanamine?
The canonical SMILES for N-[[2-(3-fluorophenyl)-1,3-oxazol-4-yl]methyl]-2-(3-methoxyphenyl)ethanamine is COc1cccc(CCNCc2coc(-c3cccc(F)c3)n2)c1.
What is the InChIKey of N-[[2-(3-fluorophenyl)-1,3-oxazol-4-yl]methyl]-2-(3-methoxyphenyl)ethanamine?
The InChIKey is ZCPQNGFGQPKGSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19FN2O2/c1-23-18-7-2-4-14(10-18)8-9-21-12-17-13-24-19(22-17)15-5-3-6-16(20)11-15/h2-7,10-11,13,21H,8-9,12H2,1H3.
What are the key properties of N-[[2-(3-fluorophenyl)-1,3-oxazol-4-yl]methyl]-2-(3-methoxyphenyl)ethanamine?
N-[[2-(3-fluorophenyl)-1,3-oxazol-4-yl]methyl]-2-(3-methoxyphenyl)ethanamine has a molecular weight of 326.37 g/mol, XLogP of 3.82, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(3-fluorophenyl)-1,3-oxazol-4-yl]methyl]-2-(3-methoxyphenyl)ethanamine is sourced from PubChem (CID 56662489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).