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

C22H26N2O4 — CID 56661925

IUPACN-methyl-N-[[2-(3-methylphenyl)-1,3-oxazol-4-yl]methyl]-1-(3,4,5-trimethoxyphenyl)methanamine
SMILESCOc1cc(CN(C)Cc2coc(-c3cccc(C)c3)n2)cc(OC)c1OC
InChIInChI=1S/C22H26N2O4/c1-15-7-6-8-17(9-15)22-23-18(14-28-22)13-24(2)12-16-10-19(25-3)21(27-5)20(11-16)26-4/h6-11,14H,12-13H2,1-5H3
InChIKeyOEQKUOSHZHWRJU-UHFFFAOYSA-N
MW382.46 g/mol
LogP4.31
Rot. Bonds8

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

N-methyl-N-[[2-(3-methylphenyl)-1,3-oxazol-4-yl]methyl]-1-(3,4,5-trimethoxyphenyl)methanamine (PubChem CID 56661925) has the molecular formula C22H26N2O4 and a molecular weight of 382.46 g/mol. Its IUPAC name is N-methyl-N-[[2-(3-methylphenyl)-1,3-oxazol-4-yl]methyl]-1-(3,4,5-trimethoxyphenyl)methanamine.

Molecular Properties

Compound NameN-methyl-N-[[2-(3-methylphenyl)-1,3-oxazol-4-yl]methyl]-1-(3,4,5-trimethoxyphenyl)methanamine
PubChem CID56661925
Molecular FormulaC22H26N2O4
Molecular Weight382.46 g/mol
Exact Mass382.19
IUPAC NameN-methyl-N-[[2-(3-methylphenyl)-1,3-oxazol-4-yl]methyl]-1-(3,4,5-trimethoxyphenyl)methanamine
SMILESCOc1cc(CN(C)Cc2coc(-c3cccc(C)c3)n2)cc(OC)c1OC
InChIInChI=1S/C22H26N2O4/c1-15-7-6-8-17(9-15)22-23-18(14-28-22)13-24(2)12-16-10-19(25-3)21(27-5)20(11-16)26-4/h6-11,14H,12-13H2,1-5H3
InChIKeyOEQKUOSHZHWRJU-UHFFFAOYSA-N
XLogP4.31
TPSA56.96 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.46
LogP ≤ 54.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-(furan-2-yl)-N-methyl-N-[[2-(3-methylphenyl)-1,3-oxazol-4-yl]methyl]methanamine
CID 56665525
3-[methyl-[[2-(3,4,5-trimethoxyphenyl)-1,3-oxazol-4-yl]methyl]amino]propanenitrile
CID 56666934
2-[2-(3,4,5-trimethoxyphenyl)-1,3-oxazol-4-yl]ethanamine
CID 82489230
1-(3-methoxyphenyl)-N-methyl-N-[(2-methyl-1,3-oxazol-4-yl)methyl]methanamine
CID 171328466
3-[[[2-(3-fluorophenyl)-1,3-oxazol-4-yl]methyl-methylamino]methyl]benzonitrile
CID 86931123
1-[[2-(3-fluorophenyl)-1,3-oxazol-4-yl]methyl-methylamino]-3-methoxypropan-2-ol
CID 62016330
N-[[2-(3-fluorophenyl)-1,3-oxazol-4-yl]methyl]-1-(3-methylphenyl)methanamine
CID 56661858
2-(3-fluorophenyl)-4-[[3-[(3-methylphenyl)methoxy]phenoxy]methyl]-1,3-oxazole
CID 141030068
4-[(4-phenylimidazol-1-yl)methyl]-2-(3,4,5-trimethoxyphenyl)-1,3-oxazole
CID 56665003
7-methyl-2-[[methyl-[(3,4,5-trimethoxyphenyl)methyl]amino]methyl]pyrido[1,2-a]pyrimidin-4-one
CID 50787830
N-[(2,6-dimethoxyphenyl)methyl]-1-[2-(3-fluorophenyl)-1,3-oxazol-4-yl]methanamine
CID 56675613
N-[[4-[2-[2-(3,5-dimethoxy-4-phenylmethoxyphenyl)-1,3-oxazol-4-yl]ethoxy]phenyl]methyl]-N-methylethanamine
CID 54398589

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[[2-(3-methylphenyl)-1,3-oxazol-4-yl]methyl]-1-(3,4,5-trimethoxyphenyl)methanamine?
The IUPAC name of N-methyl-N-[[2-(3-methylphenyl)-1,3-oxazol-4-yl]methyl]-1-(3,4,5-trimethoxyphenyl)methanamine (CID 56661925) is N-methyl-N-[[2-(3-methylphenyl)-1,3-oxazol-4-yl]methyl]-1-(3,4,5-trimethoxyphenyl)methanamine.
What is the SMILES notation for N-methyl-N-[[2-(3-methylphenyl)-1,3-oxazol-4-yl]methyl]-1-(3,4,5-trimethoxyphenyl)methanamine?
The canonical SMILES for N-methyl-N-[[2-(3-methylphenyl)-1,3-oxazol-4-yl]methyl]-1-(3,4,5-trimethoxyphenyl)methanamine is COc1cc(CN(C)Cc2coc(-c3cccc(C)c3)n2)cc(OC)c1OC.
What is the InChIKey of N-methyl-N-[[2-(3-methylphenyl)-1,3-oxazol-4-yl]methyl]-1-(3,4,5-trimethoxyphenyl)methanamine?
The InChIKey is OEQKUOSHZHWRJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O4/c1-15-7-6-8-17(9-15)22-23-18(14-28-22)13-24(2)12-16-10-19(25-3)21(27-5)20(11-16)26-4/h6-11,14H,12-13H2,1-5H3.
What are the key properties of N-methyl-N-[[2-(3-methylphenyl)-1,3-oxazol-4-yl]methyl]-1-(3,4,5-trimethoxyphenyl)methanamine?
N-methyl-N-[[2-(3-methylphenyl)-1,3-oxazol-4-yl]methyl]-1-(3,4,5-trimethoxyphenyl)methanamine has a molecular weight of 382.46 g/mol, XLogP of 4.31, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[[2-(3-methylphenyl)-1,3-oxazol-4-yl]methyl]-1-(3,4,5-trimethoxyphenyl)methanamine is sourced from PubChem (CID 56661925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).