5-methyl-2-(4-methylsulfanylphenyl)-4-[[4-(pyridin-3-ylmethoxy)piperidin-1-yl]methyl]-1,3-oxazole

C23H27N3O2S — CID 42100915

IUPAC5-methyl-2-(4-methylsulfanylphenyl)-4-[[4-(pyridin-3-ylmethoxy)piperidin-1-yl]methyl]-1,3-oxazole
SMILESCSc1ccc(-c2nc(CN3CCC(OCc4cccnc4)CC3)c(C)o2)cc1
InChIInChI=1S/C23H27N3O2S/c1-17-22(25-23(28-17)19-5-7-21(29-2)8-6-19)15-26-12-9-20(10-13-26)27-16-18-4-3-11-24-14-18/h3-8,11,14,20H,9-10,12-13,15-16H2,1-2H3
InChIKeyJSJCSUXCGQIRDE-UHFFFAOYSA-N
MW409.56 g/mol
LogP4.95
Rot. Bonds7

About 5-methyl-2-(4-methylsulfanylphenyl)-4-[[4-(pyridin-3-ylmethoxy)piperidin-1-yl]methyl]-1,3-oxazole

5-methyl-2-(4-methylsulfanylphenyl)-4-[[4-(pyridin-3-ylmethoxy)piperidin-1-yl]methyl]-1,3-oxazole (PubChem CID 42100915) has the molecular formula C23H27N3O2S and a molecular weight of 409.56 g/mol. Its IUPAC name is 5-methyl-2-(4-methylsulfanylphenyl)-4-[[4-(pyridin-3-ylmethoxy)piperidin-1-yl]methyl]-1,3-oxazole.

Molecular Properties

Compound Name5-methyl-2-(4-methylsulfanylphenyl)-4-[[4-(pyridin-3-ylmethoxy)piperidin-1-yl]methyl]-1,3-oxazole
PubChem CID42100915
Molecular FormulaC23H27N3O2S
Molecular Weight409.56 g/mol
Exact Mass409.18
IUPAC Name5-methyl-2-(4-methylsulfanylphenyl)-4-[[4-(pyridin-3-ylmethoxy)piperidin-1-yl]methyl]-1,3-oxazole
SMILESCSc1ccc(-c2nc(CN3CCC(OCc4cccnc4)CC3)c(C)o2)cc1
InChIInChI=1S/C23H27N3O2S/c1-17-22(25-23(28-17)19-5-7-21(29-2)8-6-19)15-26-12-9-20(10-13-26)27-16-18-4-3-11-24-14-18/h3-8,11,14,20H,9-10,12-13,15-16H2,1-2H3
InChIKeyJSJCSUXCGQIRDE-UHFFFAOYSA-N
XLogP4.95
TPSA51.39 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.56
LogP ≤ 54.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 5-methyl-2-(4-methylsulfanylphenyl)-4-[[4-(pyridin-3-ylmethoxy)piperidin-1-yl]methyl]-1,3-oxazole with MolForge

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Related Compounds

2-(3,4-dimethoxyphenyl)-5-methyl-4-[(4-phenylmethoxypiperidin-1-yl)methyl]-1,3-oxazole
CID 26319745
3-methyl-1-[[4-(pyridin-3-ylmethoxy)piperidin-1-yl]methyl]imidazo[1,5-a]pyridine
CID 56905474
5-methyl-2-naphthalen-1-yl-4-[(4-phenylmethoxypiperidin-1-yl)methyl]-1,3-oxazole
CID 42346194
2-(4-fluorophenyl)-4-[[4-(2-methoxyethoxy)piperidin-1-yl]methyl]-5-methyl-1,3-oxazole
CID 42210352
5-methyl-2-(4-methylsulfanylphenyl)-4-[[4-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]methyl]-1,3-oxazole
CID 56878040
N-methyl-2-[1-[[5-methyl-2-(4-methylsulfanylphenyl)-1,3-oxazol-4-yl]methyl]piperidin-4-yl]acetamide
CID 56861117
(3R)-1-[[5-methyl-2-(4-methylsulfanylphenyl)-1,3-oxazol-4-yl]methyl]piperidin-3-ol
CID 95468992
2-(6-chloro-1,3-benzodioxol-5-yl)-5-methyl-4-[[3-(pyridin-3-ylmethoxy)piperidin-1-yl]methyl]-1,3-oxazole
CID 45213463
2-(3,5-difluorophenyl)-5-methyl-4-[(3-phenylmethoxypiperidin-1-yl)methyl]-1,3-oxazole
CID 45212654
1-[(3-methoxyphenyl)methyl]-4-[[5-methyl-2-(4-methylsulfanylphenyl)-1,3-oxazol-4-yl]methyl]piperazin-2-one
CID 25375095
3-[[1-[[4-(pyrrolidin-1-ylmethyl)thiophen-2-yl]methyl]piperidin-4-yl]oxymethyl]pyridine
CID 131932704
3-fluoro-4-[4-(pyridin-3-ylmethoxy)piperidin-1-yl]pyridine
CID 72908403

Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-(4-methylsulfanylphenyl)-4-[[4-(pyridin-3-ylmethoxy)piperidin-1-yl]methyl]-1,3-oxazole?
The IUPAC name of 5-methyl-2-(4-methylsulfanylphenyl)-4-[[4-(pyridin-3-ylmethoxy)piperidin-1-yl]methyl]-1,3-oxazole (CID 42100915) is 5-methyl-2-(4-methylsulfanylphenyl)-4-[[4-(pyridin-3-ylmethoxy)piperidin-1-yl]methyl]-1,3-oxazole.
What is the SMILES notation for 5-methyl-2-(4-methylsulfanylphenyl)-4-[[4-(pyridin-3-ylmethoxy)piperidin-1-yl]methyl]-1,3-oxazole?
The canonical SMILES for 5-methyl-2-(4-methylsulfanylphenyl)-4-[[4-(pyridin-3-ylmethoxy)piperidin-1-yl]methyl]-1,3-oxazole is CSc1ccc(-c2nc(CN3CCC(OCc4cccnc4)CC3)c(C)o2)cc1.
What is the InChIKey of 5-methyl-2-(4-methylsulfanylphenyl)-4-[[4-(pyridin-3-ylmethoxy)piperidin-1-yl]methyl]-1,3-oxazole?
The InChIKey is JSJCSUXCGQIRDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3O2S/c1-17-22(25-23(28-17)19-5-7-21(29-2)8-6-19)15-26-12-9-20(10-13-26)27-16-18-4-3-11-24-14-18/h3-8,11,14,20H,9-10,12-13,15-16H2,1-2H3.
What are the key properties of 5-methyl-2-(4-methylsulfanylphenyl)-4-[[4-(pyridin-3-ylmethoxy)piperidin-1-yl]methyl]-1,3-oxazole?
5-methyl-2-(4-methylsulfanylphenyl)-4-[[4-(pyridin-3-ylmethoxy)piperidin-1-yl]methyl]-1,3-oxazole has a molecular weight of 409.56 g/mol, XLogP of 4.95, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-(4-methylsulfanylphenyl)-4-[[4-(pyridin-3-ylmethoxy)piperidin-1-yl]methyl]-1,3-oxazole is sourced from PubChem (CID 42100915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).