2-[1-[[2-(2,4-dimethoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]piperidin-2-yl]ethanol

C20H28N2O4 — CID 45192392

IUPAC2-[1-[[2-(2,4-dimethoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]piperidin-2-yl]ethanol
SMILESCOc1ccc(-c2nc(CN3CCCCC3CCO)c(C)o2)c(OC)c1
InChIInChI=1S/C20H28N2O4/c1-14-18(13-22-10-5-4-6-15(22)9-11-23)21-20(26-14)17-8-7-16(24-2)12-19(17)25-3/h7-8,12,15,23H,4-6,9-11,13H2,1-3H3
InChIKeySLAASPZTPKPZIL-UHFFFAOYSA-N
MW360.45 g/mol
LogP3.40
Rot. Bonds7

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

2-[1-[[2-(2,4-dimethoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]piperidin-2-yl]ethanol (PubChem CID 45192392) has the molecular formula C20H28N2O4 and a molecular weight of 360.45 g/mol. Its IUPAC name is 2-[1-[[2-(2,4-dimethoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]piperidin-2-yl]ethanol.

Molecular Properties

Compound Name2-[1-[[2-(2,4-dimethoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]piperidin-2-yl]ethanol
PubChem CID45192392
Molecular FormulaC20H28N2O4
Molecular Weight360.45 g/mol
Exact Mass360.20
IUPAC Name2-[1-[[2-(2,4-dimethoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]piperidin-2-yl]ethanol
SMILESCOc1ccc(-c2nc(CN3CCCCC3CCO)c(C)o2)c(OC)c1
InChIInChI=1S/C20H28N2O4/c1-14-18(13-22-10-5-4-6-15(22)9-11-23)21-20(26-14)17-8-7-16(24-2)12-19(17)25-3/h7-8,12,15,23H,4-6,9-11,13H2,1-3H3
InChIKeySLAASPZTPKPZIL-UHFFFAOYSA-N
XLogP3.40
TPSA67.96 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.45
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

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Related Compounds

3-[2-[(2R)-1-[[2-(2,4-dimethoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]piperidin-2-yl]ethyl]phenol
CID 25453064
methyl (2S)-1-[[2-(2,4-dimethoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]piperidine-2-carboxylate
CID 25279437
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-[[(2S)-2-(1,3-thiazol-2-yl)piperidin-1-yl]methyl]-1,3-oxazole
CID 42383917
[1-[[2-(4-methoxynaphthalen-1-yl)-5-methyl-1,3-oxazol-4-yl]methyl]piperidin-2-yl]methanol
CID 45170995
2-(2,4-dimethoxyphenyl)-5-methyl-4-[[(2R)-2-(1,3-thiazol-2-yl)pyrrolidin-1-yl]methyl]-1,3-oxazole
CID 26336117
4-[[(2S)-2-(methoxymethyl)piperidin-1-yl]methyl]-2-(4-methoxyphenyl)-5-methyl-1,3-oxazole
CID 42287451
2-[1-[(5-methyl-2-thiophen-3-yl-1,3-oxazol-4-yl)methyl]piperidin-2-yl]ethanol
CID 45200824
4-[[2-(2-methoxyethyl)piperidin-1-yl]methyl]-5-methyl-2-(2-methylphenyl)-1,3-oxazole
CID 45208474
2-(2,4-dimethoxyphenyl)-4-[[4-(2-methoxyethoxy)piperidin-1-yl]methyl]-5-methyl-1,3-oxazole
CID 45228007
2-(4-methoxy-2,3-dimethylphenyl)-5-methyl-4-[[(2R)-2-methylpiperidin-1-yl]methyl]-1,3-oxazole
CID 29257296
2-(2,5-dimethoxyphenyl)-5-methyl-4-[[(2S)-2-(1,3-thiazol-2-yl)piperidin-1-yl]methyl]-1,3-oxazole
CID 42392626

Frequently Asked Questions

What is the IUPAC name of 2-[1-[[2-(2,4-dimethoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]piperidin-2-yl]ethanol?
The IUPAC name of 2-[1-[[2-(2,4-dimethoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]piperidin-2-yl]ethanol (CID 45192392) is 2-[1-[[2-(2,4-dimethoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]piperidin-2-yl]ethanol.
What is the SMILES notation for 2-[1-[[2-(2,4-dimethoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]piperidin-2-yl]ethanol?
The canonical SMILES for 2-[1-[[2-(2,4-dimethoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]piperidin-2-yl]ethanol is COc1ccc(-c2nc(CN3CCCCC3CCO)c(C)o2)c(OC)c1.
What is the InChIKey of 2-[1-[[2-(2,4-dimethoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]piperidin-2-yl]ethanol?
The InChIKey is SLAASPZTPKPZIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N2O4/c1-14-18(13-22-10-5-4-6-15(22)9-11-23)21-20(26-14)17-8-7-16(24-2)12-19(17)25-3/h7-8,12,15,23H,4-6,9-11,13H2,1-3H3.
What are the key properties of 2-[1-[[2-(2,4-dimethoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]piperidin-2-yl]ethanol?
2-[1-[[2-(2,4-dimethoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]piperidin-2-yl]ethanol has a molecular weight of 360.45 g/mol, XLogP of 3.40, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[[2-(2,4-dimethoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]piperidin-2-yl]ethanol is sourced from PubChem (CID 45192392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).