[(3S)-1-[[2-(2,4-dimethoxy-3-methylphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]piperidin-3-yl]methanol

C20H28N2O4 — CID 95194346

IUPAC[(3S)-1-[[2-(2,4-dimethoxy-3-methylphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]piperidin-3-yl]methanol
SMILESCOc1ccc(-c2nc(CN3CCC[C@H](CO)C3)c(C)o2)c(OC)c1C
InChIInChI=1S/C20H28N2O4/c1-13-18(24-3)8-7-16(19(13)25-4)20-21-17(14(2)26-20)11-22-9-5-6-15(10-22)12-23/h7-8,15,23H,5-6,9-12H2,1-4H3/t15-/m0/s1
InChIKeyPSWQVXOEHNZFQX-HNNXBMFYSA-N
MW360.45 g/mol
LogP3.18
Rot. Bonds6

About [(3S)-1-[[2-(2,4-dimethoxy-3-methylphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]piperidin-3-yl]methanol

[(3S)-1-[[2-(2,4-dimethoxy-3-methylphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]piperidin-3-yl]methanol (PubChem CID 95194346) has the molecular formula C20H28N2O4 and a molecular weight of 360.45 g/mol. Its IUPAC name is [(3S)-1-[[2-(2,4-dimethoxy-3-methylphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]piperidin-3-yl]methanol.

Molecular Properties

Compound Name[(3S)-1-[[2-(2,4-dimethoxy-3-methylphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]piperidin-3-yl]methanol
PubChem CID95194346
Molecular FormulaC20H28N2O4
Molecular Weight360.45 g/mol
Exact Mass360.20
IUPAC Name[(3S)-1-[[2-(2,4-dimethoxy-3-methylphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]piperidin-3-yl]methanol
SMILESCOc1ccc(-c2nc(CN3CCC[C@H](CO)C3)c(C)o2)c(OC)c1C
InChIInChI=1S/C20H28N2O4/c1-13-18(24-3)8-7-16(19(13)25-4)20-21-17(14(2)26-20)11-22-9-5-6-15(10-22)12-23/h7-8,15,23H,5-6,9-12H2,1-4H3/t15-/m0/s1
InChIKeyPSWQVXOEHNZFQX-HNNXBMFYSA-N
XLogP3.18
TPSA67.96 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.45
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze [(3S)-1-[[2-(2,4-dimethoxy-3-methylphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]piperidin-3-yl]methanol 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

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)-5-methyl-4-[[3-[(2-methylphenoxy)methyl]piperidin-1-yl]methyl]-1,3-oxazole
CID 45190964
4-[[2-(4-methoxy-2,3-dimethylphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]morpholine
CID 56877513
2-(4-methoxynaphthalen-1-yl)-5-methyl-4-[(3-methylpiperazin-1-yl)methyl]-1,3-oxazole
CID 56739301
4-(hydroxymethyl)-1-[[2-(4-methoxy-2,3-dimethylphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]piperidin-4-ol
CID 56864778
(3S)-1-[[2-(4-methoxy-2,5-dimethylphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]piperidin-3-ol
CID 95210795
[4-[[2-(4-methoxy-2,3-dimethylphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]morpholin-2-yl]methanamine;hydrochloride
CID 154888895
[1-[[2-(4-methoxynaphthalen-1-yl)-5-methyl-1,3-oxazol-4-yl]methyl]piperidin-2-yl]methanol
CID 45170995
2-(4-methoxy-2,3-dimethylphenyl)-5-methyl-4-[[(2R)-2-methylpiperidin-1-yl]methyl]-1,3-oxazole
CID 29257296
2-(4-methoxy-2,3-dimethylphenyl)-5-methyl-4-[(4-phenylpiperazin-1-yl)methyl]-1,3-oxazole
CID 42518336
2-(2,4-dimethoxy-3-methylphenyl)-5-methyl-4-[[2-(1-methylimidazol-2-yl)piperidin-1-yl]methyl]-1,3-oxazole
CID 45188798

Frequently Asked Questions

What is the IUPAC name of [(3S)-1-[[2-(2,4-dimethoxy-3-methylphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]piperidin-3-yl]methanol?
The IUPAC name of [(3S)-1-[[2-(2,4-dimethoxy-3-methylphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]piperidin-3-yl]methanol (CID 95194346) is [(3S)-1-[[2-(2,4-dimethoxy-3-methylphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]piperidin-3-yl]methanol.
What is the SMILES notation for [(3S)-1-[[2-(2,4-dimethoxy-3-methylphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]piperidin-3-yl]methanol?
The canonical SMILES for [(3S)-1-[[2-(2,4-dimethoxy-3-methylphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]piperidin-3-yl]methanol is COc1ccc(-c2nc(CN3CCC[C@H](CO)C3)c(C)o2)c(OC)c1C.
What is the InChIKey of [(3S)-1-[[2-(2,4-dimethoxy-3-methylphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]piperidin-3-yl]methanol?
The InChIKey is PSWQVXOEHNZFQX-HNNXBMFYSA-N. The full InChI is InChI=1S/C20H28N2O4/c1-13-18(24-3)8-7-16(19(13)25-4)20-21-17(14(2)26-20)11-22-9-5-6-15(10-22)12-23/h7-8,15,23H,5-6,9-12H2,1-4H3/t15-/m0/s1.
What are the key properties of [(3S)-1-[[2-(2,4-dimethoxy-3-methylphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]piperidin-3-yl]methanol?
[(3S)-1-[[2-(2,4-dimethoxy-3-methylphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]piperidin-3-yl]methanol has a molecular weight of 360.45 g/mol, XLogP of 3.18, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S)-1-[[2-(2,4-dimethoxy-3-methylphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]piperidin-3-yl]methanol is sourced from PubChem (CID 95194346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).