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

C22H26N2O4 — CID 56659063

IUPAC2-(2,5-dimethoxyphenyl)-N-[[2-(4-ethoxyphenyl)-1,3-oxazol-4-yl]methyl]ethanamine
SMILESCCOc1ccc(-c2nc(CNCCc3cc(OC)ccc3OC)co2)cc1
InChIInChI=1S/C22H26N2O4/c1-4-27-19-7-5-16(6-8-19)22-24-18(15-28-22)14-23-12-11-17-13-20(25-2)9-10-21(17)26-3/h5-10,13,15,23H,4,11-12,14H2,1-3H3
InChIKeyVRTIPYWCUUQRKG-UHFFFAOYSA-N
MW382.46 g/mol
LogP4.09
Rot. Bonds10

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

2-(2,5-dimethoxyphenyl)-N-[[2-(4-ethoxyphenyl)-1,3-oxazol-4-yl]methyl]ethanamine (PubChem CID 56659063) has the molecular formula C22H26N2O4 and a molecular weight of 382.46 g/mol. Its IUPAC name is 2-(2,5-dimethoxyphenyl)-N-[[2-(4-ethoxyphenyl)-1,3-oxazol-4-yl]methyl]ethanamine.

Molecular Properties

Compound Name2-(2,5-dimethoxyphenyl)-N-[[2-(4-ethoxyphenyl)-1,3-oxazol-4-yl]methyl]ethanamine
PubChem CID56659063
Molecular FormulaC22H26N2O4
Molecular Weight382.46 g/mol
Exact Mass382.19
IUPAC Name2-(2,5-dimethoxyphenyl)-N-[[2-(4-ethoxyphenyl)-1,3-oxazol-4-yl]methyl]ethanamine
SMILESCCOc1ccc(-c2nc(CNCCc3cc(OC)ccc3OC)co2)cc1
InChIInChI=1S/C22H26N2O4/c1-4-27-19-7-5-16(6-8-19)22-24-18(15-28-22)14-23-12-11-17-13-20(25-2)9-10-21(17)26-3/h5-10,13,15,23H,4,11-12,14H2,1-3H3
InChIKeyVRTIPYWCUUQRKG-UHFFFAOYSA-N
XLogP4.09
TPSA65.75 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.46
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-(2,5-dimethoxyphenyl)-N-[[2-(3-fluorophenyl)-1,3-oxazol-4-yl]methyl]ethanamine
CID 56669444
2-(cyclohexen-1-yl)-N-[[2-(4-ethoxyphenyl)-1,3-oxazol-4-yl]methyl]ethanamine
CID 56676258
N-[[2-(4-ethoxyphenyl)-1,3-oxazol-4-yl]methyl]-2-phenoxyethanamine
CID 56679919
2-(3,4-dimethoxyphenyl)-N-[[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl]ethanamine
CID 56673253
1-(3,5-dimethoxyphenyl)-N-[[2-(4-methoxyphenyl)-1,3-oxazol-4-yl]methyl]methanamine
CID 56672439
2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]-N-[(2,3,4-trimethoxyphenyl)methyl]ethanamine
CID 119123449
2-(4-aminophenyl)-N-[2-(2,5-dimethoxyphenyl)ethyl]-1,3-oxazole-4-carboxamide
CID 3812541
N-[2-(2,5-dimethoxyphenyl)ethyl]propan-1-amine
CID 39245762
N-[[2-(3-bromo-4-methoxyphenyl)-1,3-oxazol-4-yl]methyl]-2-methoxyethanamine
CID 65287971
N-[[2-(4-methoxy-3-nitrophenyl)-1,3-oxazol-4-yl]methyl]propan-1-amine
CID 65288273
2-(2,5-dimethoxyphenyl)-N-[(2-methoxyphenyl)methyl]ethanamine;hydrochloride
CID 121230760
1-[2-(4-ethoxyphenyl)-1,3-oxazol-4-yl]-N-[[2-(4-ethoxyphenyl)-1,3-oxazol-4-yl]methyl]-N-methylmethanamine
CID 56668338

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dimethoxyphenyl)-N-[[2-(4-ethoxyphenyl)-1,3-oxazol-4-yl]methyl]ethanamine?
The IUPAC name of 2-(2,5-dimethoxyphenyl)-N-[[2-(4-ethoxyphenyl)-1,3-oxazol-4-yl]methyl]ethanamine (CID 56659063) is 2-(2,5-dimethoxyphenyl)-N-[[2-(4-ethoxyphenyl)-1,3-oxazol-4-yl]methyl]ethanamine.
What is the SMILES notation for 2-(2,5-dimethoxyphenyl)-N-[[2-(4-ethoxyphenyl)-1,3-oxazol-4-yl]methyl]ethanamine?
The canonical SMILES for 2-(2,5-dimethoxyphenyl)-N-[[2-(4-ethoxyphenyl)-1,3-oxazol-4-yl]methyl]ethanamine is CCOc1ccc(-c2nc(CNCCc3cc(OC)ccc3OC)co2)cc1.
What is the InChIKey of 2-(2,5-dimethoxyphenyl)-N-[[2-(4-ethoxyphenyl)-1,3-oxazol-4-yl]methyl]ethanamine?
The InChIKey is VRTIPYWCUUQRKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O4/c1-4-27-19-7-5-16(6-8-19)22-24-18(15-28-22)14-23-12-11-17-13-20(25-2)9-10-21(17)26-3/h5-10,13,15,23H,4,11-12,14H2,1-3H3.
What are the key properties of 2-(2,5-dimethoxyphenyl)-N-[[2-(4-ethoxyphenyl)-1,3-oxazol-4-yl]methyl]ethanamine?
2-(2,5-dimethoxyphenyl)-N-[[2-(4-ethoxyphenyl)-1,3-oxazol-4-yl]methyl]ethanamine has a molecular weight of 382.46 g/mol, XLogP of 4.09, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dimethoxyphenyl)-N-[[2-(4-ethoxyphenyl)-1,3-oxazol-4-yl]methyl]ethanamine is sourced from PubChem (CID 56659063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).