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

C21H25N3O2S — CID 42532058

IUPAC5-methyl-2-(5-methylthiophen-2-yl)-4-[[4-(pyridin-2-ylmethoxy)piperidin-1-yl]methyl]-1,3-oxazole
SMILESCc1ccc(-c2nc(CN3CCC(OCc4ccccn4)CC3)c(C)o2)s1
InChIInChI=1S/C21H25N3O2S/c1-15-6-7-20(27-15)21-23-19(16(2)26-21)13-24-11-8-18(9-12-24)25-14-17-5-3-4-10-22-17/h3-7,10,18H,8-9,11-14H2,1-2H3
InChIKeyMNXQQSHABPXHHJ-UHFFFAOYSA-N
MW383.52 g/mol
LogP4.60
Rot. Bonds6

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

5-methyl-2-(5-methylthiophen-2-yl)-4-[[4-(pyridin-2-ylmethoxy)piperidin-1-yl]methyl]-1,3-oxazole (PubChem CID 42532058) has the molecular formula C21H25N3O2S and a molecular weight of 383.52 g/mol. Its IUPAC name is 5-methyl-2-(5-methylthiophen-2-yl)-4-[[4-(pyridin-2-ylmethoxy)piperidin-1-yl]methyl]-1,3-oxazole.

Molecular Properties

Compound Name5-methyl-2-(5-methylthiophen-2-yl)-4-[[4-(pyridin-2-ylmethoxy)piperidin-1-yl]methyl]-1,3-oxazole
PubChem CID42532058
Molecular FormulaC21H25N3O2S
Molecular Weight383.52 g/mol
Exact Mass383.17
IUPAC Name5-methyl-2-(5-methylthiophen-2-yl)-4-[[4-(pyridin-2-ylmethoxy)piperidin-1-yl]methyl]-1,3-oxazole
SMILESCc1ccc(-c2nc(CN3CCC(OCc4ccccn4)CC3)c(C)o2)s1
InChIInChI=1S/C21H25N3O2S/c1-15-6-7-20(27-15)21-23-19(16(2)26-21)13-24-11-8-18(9-12-24)25-14-17-5-3-4-10-22-17/h3-7,10,18H,8-9,11-14H2,1-2H3
InChIKeyMNXQQSHABPXHHJ-UHFFFAOYSA-N
XLogP4.60
TPSA51.39 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.52
LogP ≤ 54.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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

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Related Compounds

4-[[4-(2-methoxyethoxy)piperidin-1-yl]methyl]-5-methyl-2-thiophen-2-yl-1,3-oxazole
CID 42379670
5-methyl-2-naphthalen-1-yl-4-[(4-phenylmethoxypiperidin-1-yl)methyl]-1,3-oxazole
CID 42346194
2-(3,4-dimethoxyphenyl)-5-methyl-4-[(4-phenylmethoxypiperidin-1-yl)methyl]-1,3-oxazole
CID 26319745
5-(methoxymethyl)-3-[[4-(pyridin-2-ylmethoxy)piperidin-1-yl]methyl]-1,2,4-oxadiazole
CID 135106283
4-[1-[4-(pyridin-2-ylmethoxy)piperidin-1-yl]propan-2-yl]morpholine
CID 135119659
2-[(5-methylthiophen-2-yl)methyl]-7-(pyridin-2-ylmethoxy)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
CID 131663990
2-[(1-propan-2-ylpiperidin-4-yl)oxymethyl]pyridine
CID 134434529
2-(2-ethoxyphenyl)-4-[(4-methoxypiperidin-1-yl)methyl]-5-methyl-1,3-oxazole
CID 25491864
5-methyl-2-(4-methylsulfanylphenyl)-4-[[4-(pyridin-3-ylmethoxy)piperidin-1-yl]methyl]-1,3-oxazole
CID 42100915
5-methyl-2-(5-methylthiophen-2-yl)-4-[[(2R)-2-(1,3-thiazol-2-yl)piperidin-1-yl]methyl]-1,3-oxazole
CID 42357603
3-methyl-4-[[3-(pyridin-2-ylmethoxy)piperidin-1-yl]methyl]-1,2,5-oxadiazole
CID 135101327
2-(5-methylthiophen-2-yl)-5-[1-(pyridin-2-ylmethyl)pyrrolidin-2-yl]-1,3,4-oxadiazole
CID 110243137

Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-(5-methylthiophen-2-yl)-4-[[4-(pyridin-2-ylmethoxy)piperidin-1-yl]methyl]-1,3-oxazole?
The IUPAC name of 5-methyl-2-(5-methylthiophen-2-yl)-4-[[4-(pyridin-2-ylmethoxy)piperidin-1-yl]methyl]-1,3-oxazole (CID 42532058) is 5-methyl-2-(5-methylthiophen-2-yl)-4-[[4-(pyridin-2-ylmethoxy)piperidin-1-yl]methyl]-1,3-oxazole.
What is the SMILES notation for 5-methyl-2-(5-methylthiophen-2-yl)-4-[[4-(pyridin-2-ylmethoxy)piperidin-1-yl]methyl]-1,3-oxazole?
The canonical SMILES for 5-methyl-2-(5-methylthiophen-2-yl)-4-[[4-(pyridin-2-ylmethoxy)piperidin-1-yl]methyl]-1,3-oxazole is Cc1ccc(-c2nc(CN3CCC(OCc4ccccn4)CC3)c(C)o2)s1.
What is the InChIKey of 5-methyl-2-(5-methylthiophen-2-yl)-4-[[4-(pyridin-2-ylmethoxy)piperidin-1-yl]methyl]-1,3-oxazole?
The InChIKey is MNXQQSHABPXHHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O2S/c1-15-6-7-20(27-15)21-23-19(16(2)26-21)13-24-11-8-18(9-12-24)25-14-17-5-3-4-10-22-17/h3-7,10,18H,8-9,11-14H2,1-2H3.
What are the key properties of 5-methyl-2-(5-methylthiophen-2-yl)-4-[[4-(pyridin-2-ylmethoxy)piperidin-1-yl]methyl]-1,3-oxazole?
5-methyl-2-(5-methylthiophen-2-yl)-4-[[4-(pyridin-2-ylmethoxy)piperidin-1-yl]methyl]-1,3-oxazole has a molecular weight of 383.52 g/mol, XLogP of 4.60, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-(5-methylthiophen-2-yl)-4-[[4-(pyridin-2-ylmethoxy)piperidin-1-yl]methyl]-1,3-oxazole is sourced from PubChem (CID 42532058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).