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

C20H22N2O4 — CID 56672439

IUPAC1-(3,5-dimethoxyphenyl)-N-[[2-(4-methoxyphenyl)-1,3-oxazol-4-yl]methyl]methanamine
SMILESCOc1ccc(-c2nc(CNCc3cc(OC)cc(OC)c3)co2)cc1
InChIInChI=1S/C20H22N2O4/c1-23-17-6-4-15(5-7-17)20-22-16(13-26-20)12-21-11-14-8-18(24-2)10-19(9-14)25-3/h4-10,13,21H,11-12H2,1-3H3
InChIKeyROOVWXLSLLYOBN-UHFFFAOYSA-N
MW354.41 g/mol
LogP3.66
Rot. Bonds8

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

1-(3,5-dimethoxyphenyl)-N-[[2-(4-methoxyphenyl)-1,3-oxazol-4-yl]methyl]methanamine (PubChem CID 56672439) has the molecular formula C20H22N2O4 and a molecular weight of 354.41 g/mol. Its IUPAC name is 1-(3,5-dimethoxyphenyl)-N-[[2-(4-methoxyphenyl)-1,3-oxazol-4-yl]methyl]methanamine.

Molecular Properties

Compound Name1-(3,5-dimethoxyphenyl)-N-[[2-(4-methoxyphenyl)-1,3-oxazol-4-yl]methyl]methanamine
PubChem CID56672439
Molecular FormulaC20H22N2O4
Molecular Weight354.41 g/mol
Exact Mass354.16
IUPAC Name1-(3,5-dimethoxyphenyl)-N-[[2-(4-methoxyphenyl)-1,3-oxazol-4-yl]methyl]methanamine
SMILESCOc1ccc(-c2nc(CNCc3cc(OC)cc(OC)c3)co2)cc1
InChIInChI=1S/C20H22N2O4/c1-23-17-6-4-15(5-7-17)20-22-16(13-26-20)12-21-11-14-8-18(24-2)10-19(9-14)25-3/h4-10,13,21H,11-12H2,1-3H3
InChIKeyROOVWXLSLLYOBN-UHFFFAOYSA-N
XLogP3.66
TPSA65.75 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.41
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-methoxy-N-[[2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl]aniline
CID 56672873
N-[(3,5-dimethoxyphenyl)methyl]-1-(4-methoxyphenyl)methanamine
CID 775262
1-(3-methoxyphenyl)-N-[(2-naphthalen-1-yl-1,3-oxazol-4-yl)methyl]methanamine
CID 56672478
2-(2,5-dimethoxyphenyl)-N-[[2-(4-ethoxyphenyl)-1,3-oxazol-4-yl]methyl]ethanamine
CID 56659063
1-[4-[[[4-[[[4-[[(3,5-dimethoxyphenyl)methylamino]methyl]phenyl]methylamino]methyl]phenyl]methylamino]methyl]phenyl]-N-[[4-[[[4-[[[4-[[(3,5-dimethoxyphenyl)methylamino]methyl]phenyl]methylamino]methyl]phenyl]methylamino]methyl]phenyl]methyl]methanamine
CID 101451225
1-[4-[[[4-[[(3,5-dimethoxyphenyl)methylamino]methyl]phenyl]methylamino]methyl]phenyl]-N-[[4-[[[4-[[(3,5-dimethoxyphenyl)methylamino]methyl]phenyl]methylamino]methyl]phenyl]methyl]methanamine
CID 101451224
N-[[4-[[(3,5-dimethoxyphenyl)methylamino]methyl]phenyl]methyl]-1-[4-[[[4-[[(3,5-dimethoxyphenyl)methylamino]methyl]phenyl]methylamino]methyl]phenyl]methanamine
CID 101451223
2-(3,4-dimethoxyphenyl)-N-[[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl]ethanamine
CID 56673253
4-(benzylsulfanylmethyl)-2-(4-methoxyphenyl)-1,3-oxazole
CID 55542268
N-[[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl]-2-methoxyethanamine
CID 60727772
2-methoxy-N-[(2-naphthalen-2-yl-1,3-oxazol-4-yl)methyl]ethanamine
CID 65288455
1-[[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]methyl]-2-methyl-3-[(2-phenyl-1,3-oxazol-4-yl)methyl]guanidine;hydroiodide
CID 111980534

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dimethoxyphenyl)-N-[[2-(4-methoxyphenyl)-1,3-oxazol-4-yl]methyl]methanamine?
The IUPAC name of 1-(3,5-dimethoxyphenyl)-N-[[2-(4-methoxyphenyl)-1,3-oxazol-4-yl]methyl]methanamine (CID 56672439) is 1-(3,5-dimethoxyphenyl)-N-[[2-(4-methoxyphenyl)-1,3-oxazol-4-yl]methyl]methanamine.
What is the SMILES notation for 1-(3,5-dimethoxyphenyl)-N-[[2-(4-methoxyphenyl)-1,3-oxazol-4-yl]methyl]methanamine?
The canonical SMILES for 1-(3,5-dimethoxyphenyl)-N-[[2-(4-methoxyphenyl)-1,3-oxazol-4-yl]methyl]methanamine is COc1ccc(-c2nc(CNCc3cc(OC)cc(OC)c3)co2)cc1.
What is the InChIKey of 1-(3,5-dimethoxyphenyl)-N-[[2-(4-methoxyphenyl)-1,3-oxazol-4-yl]methyl]methanamine?
The InChIKey is ROOVWXLSLLYOBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O4/c1-23-17-6-4-15(5-7-17)20-22-16(13-26-20)12-21-11-14-8-18(24-2)10-19(9-14)25-3/h4-10,13,21H,11-12H2,1-3H3.
What are the key properties of 1-(3,5-dimethoxyphenyl)-N-[[2-(4-methoxyphenyl)-1,3-oxazol-4-yl]methyl]methanamine?
1-(3,5-dimethoxyphenyl)-N-[[2-(4-methoxyphenyl)-1,3-oxazol-4-yl]methyl]methanamine has a molecular weight of 354.41 g/mol, XLogP of 3.66, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dimethoxyphenyl)-N-[[2-(4-methoxyphenyl)-1,3-oxazol-4-yl]methyl]methanamine is sourced from PubChem (CID 56672439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).