2-(2,4-dimethoxyphenyl)-5-methyl-4-[[3-[(2-methylphenoxy)methyl]piperidin-1-yl]methyl]-1,3-oxazole

C26H32N2O4 — CID 45190964

IUPAC2-(2,4-dimethoxyphenyl)-5-methyl-4-[[3-[(2-methylphenoxy)methyl]piperidin-1-yl]methyl]-1,3-oxazole
SMILESCOc1ccc(-c2nc(CN3CCCC(COc4ccccc4C)C3)c(C)o2)c(OC)c1
InChIInChI=1S/C26H32N2O4/c1-18-8-5-6-10-24(18)31-17-20-9-7-13-28(15-20)16-23-19(2)32-26(27-23)22-12-11-21(29-3)14-25(22)30-4/h5-6,8,10-12,14,20H,7,9,13,15-17H2,1-4H3
InChIKeyYWGFFRWBPJAFOW-UHFFFAOYSA-N
MW436.55 g/mol
LogP5.27
Rot. Bonds8

About 2-(2,4-dimethoxyphenyl)-5-methyl-4-[[3-[(2-methylphenoxy)methyl]piperidin-1-yl]methyl]-1,3-oxazole

2-(2,4-dimethoxyphenyl)-5-methyl-4-[[3-[(2-methylphenoxy)methyl]piperidin-1-yl]methyl]-1,3-oxazole (PubChem CID 45190964) has the molecular formula C26H32N2O4 and a molecular weight of 436.55 g/mol. Its IUPAC name is 2-(2,4-dimethoxyphenyl)-5-methyl-4-[[3-[(2-methylphenoxy)methyl]piperidin-1-yl]methyl]-1,3-oxazole.

Molecular Properties

Compound Name2-(2,4-dimethoxyphenyl)-5-methyl-4-[[3-[(2-methylphenoxy)methyl]piperidin-1-yl]methyl]-1,3-oxazole
PubChem CID45190964
Molecular FormulaC26H32N2O4
Molecular Weight436.55 g/mol
Exact Mass436.24
IUPAC Name2-(2,4-dimethoxyphenyl)-5-methyl-4-[[3-[(2-methylphenoxy)methyl]piperidin-1-yl]methyl]-1,3-oxazole
SMILESCOc1ccc(-c2nc(CN3CCCC(COc4ccccc4C)C3)c(C)o2)c(OC)c1
InChIInChI=1S/C26H32N2O4/c1-18-8-5-6-10-24(18)31-17-20-9-7-13-28(15-20)16-23-19(2)32-26(27-23)22-12-11-21(29-3)14-25(22)30-4/h5-6,8,10-12,14,20H,7,9,13,15-17H2,1-4H3
InChIKeyYWGFFRWBPJAFOW-UHFFFAOYSA-N
XLogP5.27
TPSA56.96 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500436.55
LogP ≤ 55.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-(2,4-dimethoxyphenyl)-5-methyl-4-[[3-[(2-methylphenoxy)methyl]piperidin-1-yl]methyl]-1,3-oxazole with MolForge

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Related Compounds

1-[[2-(2,5-dimethoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]piperidin-3-ol
CID 56869440
2-(2,5-dimethoxyphenyl)-4-[(3-methoxypiperidin-1-yl)methyl]-5-methyl-1,3-oxazole
CID 56880738
2-(2,4-dimethoxyphenyl)-4-[[4-(2-methoxyethoxy)piperidin-1-yl]methyl]-5-methyl-1,3-oxazole
CID 45228007
[(3S)-1-[[2-(2,4-dimethoxy-3-methylphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]piperidin-3-yl]methanol
CID 95194346
2-(2-fluoro-5-methoxyphenyl)-4-[[(3S)-3-(methoxymethyl)pyrrolidin-1-yl]methyl]-5-methyl-1,3-oxazole
CID 95551737
2-[(3S)-1-[[2-(2-fluoro-4-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]piperidin-3-yl]propan-2-ol
CID 95561078
2-(2,4-dimethoxyphenyl)-4-[[(2S)-2-(3-methoxyphenyl)piperidin-1-yl]methyl]-5-methyl-1,3-oxazole
CID 42288009
2-(2,4-dimethoxyphenyl)-5-methyl-4-[[(2R)-2-(1,3-thiazol-2-yl)pyrrolidin-1-yl]methyl]-1,3-oxazole
CID 26336117
1-[[2-(2-fluoro-4-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]pyrrolidin-3-amine
CID 56743698
(3S)-1-[[2-(4-methoxy-2,5-dimethylphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]piperidin-3-ol
CID 95210795
2-[1-[[2-(2,4-dimethoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]piperidin-2-yl]ethanol
CID 45192392
2-(2-fluoro-5-methoxyphenyl)-5-methyl-4-[(3-phenylmethoxypiperidin-1-yl)methyl]-1,3-oxazole
CID 45214788

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dimethoxyphenyl)-5-methyl-4-[[3-[(2-methylphenoxy)methyl]piperidin-1-yl]methyl]-1,3-oxazole?
The IUPAC name of 2-(2,4-dimethoxyphenyl)-5-methyl-4-[[3-[(2-methylphenoxy)methyl]piperidin-1-yl]methyl]-1,3-oxazole (CID 45190964) is 2-(2,4-dimethoxyphenyl)-5-methyl-4-[[3-[(2-methylphenoxy)methyl]piperidin-1-yl]methyl]-1,3-oxazole.
What is the SMILES notation for 2-(2,4-dimethoxyphenyl)-5-methyl-4-[[3-[(2-methylphenoxy)methyl]piperidin-1-yl]methyl]-1,3-oxazole?
The canonical SMILES for 2-(2,4-dimethoxyphenyl)-5-methyl-4-[[3-[(2-methylphenoxy)methyl]piperidin-1-yl]methyl]-1,3-oxazole is COc1ccc(-c2nc(CN3CCCC(COc4ccccc4C)C3)c(C)o2)c(OC)c1.
What is the InChIKey of 2-(2,4-dimethoxyphenyl)-5-methyl-4-[[3-[(2-methylphenoxy)methyl]piperidin-1-yl]methyl]-1,3-oxazole?
The InChIKey is YWGFFRWBPJAFOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32N2O4/c1-18-8-5-6-10-24(18)31-17-20-9-7-13-28(15-20)16-23-19(2)32-26(27-23)22-12-11-21(29-3)14-25(22)30-4/h5-6,8,10-12,14,20H,7,9,13,15-17H2,1-4H3.
What are the key properties of 2-(2,4-dimethoxyphenyl)-5-methyl-4-[[3-[(2-methylphenoxy)methyl]piperidin-1-yl]methyl]-1,3-oxazole?
2-(2,4-dimethoxyphenyl)-5-methyl-4-[[3-[(2-methylphenoxy)methyl]piperidin-1-yl]methyl]-1,3-oxazole has a molecular weight of 436.55 g/mol, XLogP of 5.27, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dimethoxyphenyl)-5-methyl-4-[[3-[(2-methylphenoxy)methyl]piperidin-1-yl]methyl]-1,3-oxazole is sourced from PubChem (CID 45190964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).