N-[[2-(4-methoxy-2,5-dimethylphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-1-(4-methoxyphenyl)-N-methylethanamine

C24H30N2O3 — CID 45194717

IUPACN-[[2-(4-methoxy-2,5-dimethylphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-1-(4-methoxyphenyl)-N-methylethanamine
SMILESCOc1ccc(C(C)N(C)Cc2nc(-c3cc(C)c(OC)cc3C)oc2C)cc1
InChIInChI=1S/C24H30N2O3/c1-15-13-23(28-7)16(2)12-21(15)24-25-22(18(4)29-24)14-26(5)17(3)19-8-10-20(27-6)11-9-19/h8-13,17H,14H2,1-7H3
InChIKeyMTWVVMWVYZGCGN-UHFFFAOYSA-N
MW394.52 g/mol
LogP5.48
Rot. Bonds7

About N-[[2-(4-methoxy-2,5-dimethylphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-1-(4-methoxyphenyl)-N-methylethanamine

N-[[2-(4-methoxy-2,5-dimethylphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-1-(4-methoxyphenyl)-N-methylethanamine (PubChem CID 45194717) has the molecular formula C24H30N2O3 and a molecular weight of 394.52 g/mol. Its IUPAC name is N-[[2-(4-methoxy-2,5-dimethylphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-1-(4-methoxyphenyl)-N-methylethanamine.

Molecular Properties

Compound NameN-[[2-(4-methoxy-2,5-dimethylphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-1-(4-methoxyphenyl)-N-methylethanamine
PubChem CID45194717
Molecular FormulaC24H30N2O3
Molecular Weight394.52 g/mol
Exact Mass394.23
IUPAC NameN-[[2-(4-methoxy-2,5-dimethylphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-1-(4-methoxyphenyl)-N-methylethanamine
SMILESCOc1ccc(C(C)N(C)Cc2nc(-c3cc(C)c(OC)cc3C)oc2C)cc1
InChIInChI=1S/C24H30N2O3/c1-15-13-23(28-7)16(2)12-21(15)24-25-22(18(4)29-24)14-26(5)17(3)19-8-10-20(27-6)11-9-19/h8-13,17H,14H2,1-7H3
InChIKeyMTWVVMWVYZGCGN-UHFFFAOYSA-N
XLogP5.48
TPSA47.73 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500394.52
LogP ≤ 55.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze N-[[2-(4-methoxy-2,5-dimethylphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-1-(4-methoxyphenyl)-N-methylethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(1S)-N-[[2-(2,3-dimethoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-1-(3-methoxyphenyl)-N-methylethanamine
CID 42189949
(1S)-N-[[2-(2,5-dimethoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-1-(2,5-dimethyl-1,3-thiazol-4-yl)-N-methylethanamine
CID 42095693
1-[2-(4-methoxy-2,5-dimethylphenyl)-5-methyl-1,3-oxazol-4-yl]-N-methyl-N-[(3-methylthiophen-2-yl)methyl]methanamine
CID 25453650
N-[[2-(4-methoxy-2,5-dimethylphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-N-methyloxolan-3-amine
CID 45228461
N-[[2-(2,4-dimethoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-N,2-dimethylpropan-1-amine
CID 26318638
(1R)-N-[[2-(2-fluoro-5-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-N-methyl-1-thiophen-2-ylethanamine
CID 25298863
(1R)-N-[[2-(4-methoxy-2,3-dimethylphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-N-methyl-1-(4-methyl-1,3-thiazol-2-yl)ethanamine
CID 25453513
N-[[2-(4-methoxy-3-methylphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-N-methyl-1-(1,3-thiazol-2-yl)ethanamine
CID 45174340
(1S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-methyl-N-[[5-methyl-2-(2-methylphenyl)-1,3-oxazol-4-yl]methyl]ethanamine
CID 26329967
(1R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-methyl-N-[[5-methyl-2-(2-methylphenyl)-1,3-oxazol-4-yl]methyl]ethanamine
CID 26329964
1-(4-methoxyphenyl)-N-methyl-N-(trimethylsilylmethyl)ethanamine
CID 15113037
(1R)-1-(4-methoxyphenyl)-N-methyl-N-[(5-methyl-1H-pyrazol-3-yl)methyl]ethanamine
CID 95120184

Frequently Asked Questions

What is the IUPAC name of N-[[2-(4-methoxy-2,5-dimethylphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-1-(4-methoxyphenyl)-N-methylethanamine?
The IUPAC name of N-[[2-(4-methoxy-2,5-dimethylphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-1-(4-methoxyphenyl)-N-methylethanamine (CID 45194717) is N-[[2-(4-methoxy-2,5-dimethylphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-1-(4-methoxyphenyl)-N-methylethanamine.
What is the SMILES notation for N-[[2-(4-methoxy-2,5-dimethylphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-1-(4-methoxyphenyl)-N-methylethanamine?
The canonical SMILES for N-[[2-(4-methoxy-2,5-dimethylphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-1-(4-methoxyphenyl)-N-methylethanamine is COc1ccc(C(C)N(C)Cc2nc(-c3cc(C)c(OC)cc3C)oc2C)cc1.
What is the InChIKey of N-[[2-(4-methoxy-2,5-dimethylphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-1-(4-methoxyphenyl)-N-methylethanamine?
The InChIKey is MTWVVMWVYZGCGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N2O3/c1-15-13-23(28-7)16(2)12-21(15)24-25-22(18(4)29-24)14-26(5)17(3)19-8-10-20(27-6)11-9-19/h8-13,17H,14H2,1-7H3.
What are the key properties of N-[[2-(4-methoxy-2,5-dimethylphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-1-(4-methoxyphenyl)-N-methylethanamine?
N-[[2-(4-methoxy-2,5-dimethylphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-1-(4-methoxyphenyl)-N-methylethanamine has a molecular weight of 394.52 g/mol, XLogP of 5.48, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(4-methoxy-2,5-dimethylphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-1-(4-methoxyphenyl)-N-methylethanamine is sourced from PubChem (CID 45194717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).