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

C20H21FN2O3 — CID 56673253

IUPAC2-(3,4-dimethoxyphenyl)-N-[[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl]ethanamine
SMILESCOc1ccc(CCNCc2coc(-c3ccc(F)cc3)n2)cc1OC
InChIInChI=1S/C20H21FN2O3/c1-24-18-8-3-14(11-19(18)25-2)9-10-22-12-17-13-26-20(23-17)15-4-6-16(21)7-5-15/h3-8,11,13,22H,9-10,12H2,1-2H3
InChIKeyNORQKWKEMUJIGJ-UHFFFAOYSA-N
MW356.40 g/mol
LogP3.83
Rot. Bonds8

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

2-(3,4-dimethoxyphenyl)-N-[[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl]ethanamine (PubChem CID 56673253) has the molecular formula C20H21FN2O3 and a molecular weight of 356.40 g/mol. Its IUPAC name is 2-(3,4-dimethoxyphenyl)-N-[[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl]ethanamine.

Molecular Properties

Compound Name2-(3,4-dimethoxyphenyl)-N-[[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl]ethanamine
PubChem CID56673253
Molecular FormulaC20H21FN2O3
Molecular Weight356.40 g/mol
Exact Mass356.15
IUPAC Name2-(3,4-dimethoxyphenyl)-N-[[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl]ethanamine
SMILESCOc1ccc(CCNCc2coc(-c3ccc(F)cc3)n2)cc1OC
InChIInChI=1S/C20H21FN2O3/c1-24-18-8-3-14(11-19(18)25-2)9-10-22-12-17-13-26-20(23-17)15-4-6-16(21)7-5-15/h3-8,11,13,22H,9-10,12H2,1-2H3
InChIKeyNORQKWKEMUJIGJ-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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Related Compounds

N-[[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl]-2-methoxyethanamine
CID 60727772
2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]-N-[(2,3,4-trimethoxyphenyl)methyl]ethanamine
CID 119123449
N-[[5-(3,4-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl]-2-(4-fluorophenyl)ethanamine
CID 110653113
2-(2,5-dimethoxyphenyl)-N-[[2-(3-fluorophenyl)-1,3-oxazol-4-yl]methyl]ethanamine
CID 56669444
2-(3,4-dimethoxyphenyl)-N-[(4-fluorophenyl)methyl]ethanamine;oxalic acid
CID 17367733
2-(2,5-dimethoxyphenyl)-N-[[2-(4-ethoxyphenyl)-1,3-oxazol-4-yl]methyl]ethanamine
CID 56659063
1-(3,4-dimethoxyphenyl)-2-[2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]ethyl]guanidine
CID 111097097
1-[(3,4-dimethoxyphenyl)methyl]-2-methyl-3-[[2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl]guanidine
CID 111592109
N-[(2,6-dimethoxyphenyl)methyl]-1-[2-(3-fluorophenyl)-1,3-oxazol-4-yl]methanamine
CID 56675613
1-(3,5-dimethoxyphenyl)-N-[[2-(4-methoxyphenyl)-1,3-oxazol-4-yl]methyl]methanamine
CID 56672439
1-(2,5-dimethoxyphenyl)-2-[2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]ethyl]guanidine;hydroiodide
CID 111097100
2-(4-fluorophenyl)-N-[(6-methoxy-2-pyridinyl)methyl]ethanamine
CID 63991750

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethoxyphenyl)-N-[[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl]ethanamine?
The IUPAC name of 2-(3,4-dimethoxyphenyl)-N-[[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl]ethanamine (CID 56673253) is 2-(3,4-dimethoxyphenyl)-N-[[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl]ethanamine.
What is the SMILES notation for 2-(3,4-dimethoxyphenyl)-N-[[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl]ethanamine?
The canonical SMILES for 2-(3,4-dimethoxyphenyl)-N-[[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl]ethanamine is COc1ccc(CCNCc2coc(-c3ccc(F)cc3)n2)cc1OC.
What is the InChIKey of 2-(3,4-dimethoxyphenyl)-N-[[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl]ethanamine?
The InChIKey is NORQKWKEMUJIGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21FN2O3/c1-24-18-8-3-14(11-19(18)25-2)9-10-22-12-17-13-26-20(23-17)15-4-6-16(21)7-5-15/h3-8,11,13,22H,9-10,12H2,1-2H3.
What are the key properties of 2-(3,4-dimethoxyphenyl)-N-[[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl]ethanamine?
2-(3,4-dimethoxyphenyl)-N-[[2-(4-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-(3,4-dimethoxyphenyl)-N-[[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl]ethanamine is sourced from PubChem (CID 56673253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).