(3S)-1-[[2-(4-methoxy-2,5-dimethylphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]piperidin-3-ol

C19H26N2O3 — CID 95210795

IUPAC(3S)-1-[[2-(4-methoxy-2,5-dimethylphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]piperidin-3-ol
SMILESCOc1cc(C)c(-c2nc(CN3CCC[C@H](O)C3)c(C)o2)cc1C
InChIInChI=1S/C19H26N2O3/c1-12-9-18(23-4)13(2)8-16(12)19-20-17(14(3)24-19)11-21-7-5-6-15(22)10-21/h8-9,15,22H,5-7,10-11H2,1-4H3/t15-/m0/s1
InChIKeyOGHXZWZEZQJWHI-HNNXBMFYSA-N
MW330.43 g/mol
LogP3.23
Rot. Bonds4

About (3S)-1-[[2-(4-methoxy-2,5-dimethylphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]piperidin-3-ol

(3S)-1-[[2-(4-methoxy-2,5-dimethylphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]piperidin-3-ol (PubChem CID 95210795) has the molecular formula C19H26N2O3 and a molecular weight of 330.43 g/mol. Its IUPAC name is (3S)-1-[[2-(4-methoxy-2,5-dimethylphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]piperidin-3-ol.

Molecular Properties

Compound Name(3S)-1-[[2-(4-methoxy-2,5-dimethylphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]piperidin-3-ol
PubChem CID95210795
Molecular FormulaC19H26N2O3
Molecular Weight330.43 g/mol
Exact Mass330.19
IUPAC Name(3S)-1-[[2-(4-methoxy-2,5-dimethylphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]piperidin-3-ol
SMILESCOc1cc(C)c(-c2nc(CN3CCC[C@H](O)C3)c(C)o2)cc1C
InChIInChI=1S/C19H26N2O3/c1-12-9-18(23-4)13(2)8-16(12)19-20-17(14(3)24-19)11-21-7-5-6-15(22)10-21/h8-9,15,22H,5-7,10-11H2,1-4H3/t15-/m0/s1
InChIKeyOGHXZWZEZQJWHI-HNNXBMFYSA-N
XLogP3.23
TPSA58.73 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.43
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (3S)-1-[[2-(4-methoxy-2,5-dimethylphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]piperidin-3-ol 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
(3R)-1-[[2-(4-methoxy-2,5-dimethylphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-N-methylpyrrolidine-3-carboxamide
CID 95200379
2-(4-methoxy-2,5-dimethylphenyl)-5-methyl-4-(piperazin-1-ylmethyl)-1,3-oxazole
CID 56754112
methyl (2S)-1-[[2-(4-methoxy-2,5-dimethylphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]pyrrolidine-2-carboxylate
CID 42345389
1-[[2-(3,5-difluorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]piperidin-3-ol
CID 56755911
1-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl]piperidin-3-ol
CID 110883667
2-(2,5-dimethoxyphenyl)-4-[(3-methoxypiperidin-1-yl)methyl]-5-methyl-1,3-oxazole
CID 56880738
(3R)-1-[[5-methyl-2-(4-methylsulfanylphenyl)-1,3-oxazol-4-yl]methyl]piperidin-3-ol
CID 95468992
4-[[4-(2-ethoxyphenyl)piperazin-1-yl]methyl]-2-(4-methoxy-2,5-dimethylphenyl)-5-methyl-1,3-oxazole
CID 42199005
[(3S)-1-[[2-(2,4-dimethoxy-3-methylphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]piperidin-3-yl]methanol
CID 95194346
2-(2,4-dimethoxyphenyl)-5-methyl-4-[[3-[(2-methylphenoxy)methyl]piperidin-1-yl]methyl]-1,3-oxazole
CID 45190964
2-[(3S)-1-[[2-(2-fluoro-4-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]piperidin-3-yl]propan-2-ol
CID 95561078

Frequently Asked Questions

What is the IUPAC name of (3S)-1-[[2-(4-methoxy-2,5-dimethylphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]piperidin-3-ol?
The IUPAC name of (3S)-1-[[2-(4-methoxy-2,5-dimethylphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]piperidin-3-ol (CID 95210795) is (3S)-1-[[2-(4-methoxy-2,5-dimethylphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]piperidin-3-ol.
What is the SMILES notation for (3S)-1-[[2-(4-methoxy-2,5-dimethylphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]piperidin-3-ol?
The canonical SMILES for (3S)-1-[[2-(4-methoxy-2,5-dimethylphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]piperidin-3-ol is COc1cc(C)c(-c2nc(CN3CCC[C@H](O)C3)c(C)o2)cc1C.
What is the InChIKey of (3S)-1-[[2-(4-methoxy-2,5-dimethylphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]piperidin-3-ol?
The InChIKey is OGHXZWZEZQJWHI-HNNXBMFYSA-N. The full InChI is InChI=1S/C19H26N2O3/c1-12-9-18(23-4)13(2)8-16(12)19-20-17(14(3)24-19)11-21-7-5-6-15(22)10-21/h8-9,15,22H,5-7,10-11H2,1-4H3/t15-/m0/s1.
What are the key properties of (3S)-1-[[2-(4-methoxy-2,5-dimethylphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]piperidin-3-ol?
(3S)-1-[[2-(4-methoxy-2,5-dimethylphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]piperidin-3-ol has a molecular weight of 330.43 g/mol, XLogP of 3.23, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-[[2-(4-methoxy-2,5-dimethylphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]piperidin-3-ol is sourced from PubChem (CID 95210795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).