2-[3-[[5-(phenylsulfanylmethyl)-1,2-oxazol-3-yl]methyl]piperidin-4-yl]-N-(thiophen-2-ylmethyl)acetamide

C23H27N3O2S2 — CID 74506182

IUPAC2-[3-[[5-(phenylsulfanylmethyl)-1,2-oxazol-3-yl]methyl]piperidin-4-yl]-N-(thiophen-2-ylmethyl)acetamide
SMILESO=C(CC1CCNCC1Cc1cc(CSc2ccccc2)on1)NCc1cccs1
InChIInChI=1S/C23H27N3O2S2/c27-23(25-15-22-7-4-10-29-22)12-17-8-9-24-14-18(17)11-19-13-20(28-26-19)16-30-21-5-2-1-3-6-21/h1-7,10,13,17-18,24H,8-9,11-12,14-16H2,(H,25,27)
InChIKeyGRMHWDCGUKTXMK-UHFFFAOYSA-N
MW441.62 g/mol
LogP4.50
Rot. Bonds9

About 2-[3-[[5-(phenylsulfanylmethyl)-1,2-oxazol-3-yl]methyl]piperidin-4-yl]-N-(thiophen-2-ylmethyl)acetamide

2-[3-[[5-(phenylsulfanylmethyl)-1,2-oxazol-3-yl]methyl]piperidin-4-yl]-N-(thiophen-2-ylmethyl)acetamide (PubChem CID 74506182) has the molecular formula C23H27N3O2S2 and a molecular weight of 441.62 g/mol. Its IUPAC name is 2-[3-[[5-(phenylsulfanylmethyl)-1,2-oxazol-3-yl]methyl]piperidin-4-yl]-N-(thiophen-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-[3-[[5-(phenylsulfanylmethyl)-1,2-oxazol-3-yl]methyl]piperidin-4-yl]-N-(thiophen-2-ylmethyl)acetamide
PubChem CID74506182
Molecular FormulaC23H27N3O2S2
Molecular Weight441.62 g/mol
Exact Mass441.15
IUPAC Name2-[3-[[5-(phenylsulfanylmethyl)-1,2-oxazol-3-yl]methyl]piperidin-4-yl]-N-(thiophen-2-ylmethyl)acetamide
SMILESO=C(CC1CCNCC1Cc1cc(CSc2ccccc2)on1)NCc1cccs1
InChIInChI=1S/C23H27N3O2S2/c27-23(25-15-22-7-4-10-29-22)12-17-8-9-24-14-18(17)11-19-13-20(28-26-19)16-30-21-5-2-1-3-6-21/h1-7,10,13,17-18,24H,8-9,11-12,14-16H2,(H,25,27)
InChIKeyGRMHWDCGUKTXMK-UHFFFAOYSA-N
XLogP4.50
TPSA67.16 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.62
LogP ≤ 54.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-[3-[[5-(phenylsulfanylmethyl)-1,2-oxazol-3-yl]methyl]piperidin-4-yl]-N-(thiophen-2-ylmethyl)acetamide with MolForge

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Related Compounds

N-(furan-2-ylmethyl)-2-[(3R,4S)-3-[[5-(phenylsulfanylmethyl)-1,2-oxazol-3-yl]methyl]piperidin-4-yl]acetamide
CID 26743102
2-[(3R,4S)-3-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methyl]piperidin-4-yl]-N-(thiophen-2-ylmethyl)acetamide
CID 26743054
N-(3-hydroxyphenyl)-2-[3-[[5-(phenylsulfanylmethyl)-1,2-oxazol-3-yl]methyl]piperidin-4-yl]acetamide
CID 74506178
1-(4-methylpiperazin-1-yl)-2-[(3R,4S)-3-[[5-(phenylsulfanylmethyl)-1,2-oxazol-3-yl]methyl]piperidin-4-yl]ethanone
CID 26743108
2-[(3S,4S)-3-[[5-(4-tert-butylphenyl)-1,2-oxazol-3-yl]methyl]piperidin-4-yl]-N-(thiophen-2-ylmethyl)acetamide
CID 162804200
1-(4-benzylpiperazin-1-yl)-2-[(3R,4R)-3-[[5-(phenylsulfanylmethyl)-1,2-oxazol-3-yl]methyl]piperidin-4-yl]ethanone
CID 163096776
N-[(4-fluorophenyl)methyl]-2-[3-[(5-phenyl-1,2-oxazol-3-yl)methyl]piperidin-4-yl]acetamide
CID 74734699
N-cyclohexyl-2-[(3S,4S)-3-[[5-(phenoxymethyl)-1,2-oxazol-3-yl]methyl]piperidin-4-yl]acetamide
CID 162796842
N-[2-(dimethylamino)ethyl]-2-[3-[(5-phenyl-1,2-oxazol-3-yl)methyl]piperidin-4-yl]acetamide
CID 74734697
2-[(3R,4R)-3-[[5-(cyclohexylmethyl)-1,2-oxazol-3-yl]methyl]piperidin-4-yl]-N-[(4-methoxyphenyl)methyl]acetamide
CID 162796815
2-[(3S,4S)-3-[[5-[[benzyl(methyl)amino]methyl]-1,2-oxazol-3-yl]methyl]piperidin-4-yl]-N-cyclopropylacetamide
CID 162796843
N-(1,3-benzodioxol-5-ylmethyl)-2-[3-[(5-butyl-1,2-oxazol-3-yl)methyl]piperidin-4-yl]acetamide
CID 74506073

Frequently Asked Questions

What is the IUPAC name of 2-[3-[[5-(phenylsulfanylmethyl)-1,2-oxazol-3-yl]methyl]piperidin-4-yl]-N-(thiophen-2-ylmethyl)acetamide?
The IUPAC name of 2-[3-[[5-(phenylsulfanylmethyl)-1,2-oxazol-3-yl]methyl]piperidin-4-yl]-N-(thiophen-2-ylmethyl)acetamide (CID 74506182) is 2-[3-[[5-(phenylsulfanylmethyl)-1,2-oxazol-3-yl]methyl]piperidin-4-yl]-N-(thiophen-2-ylmethyl)acetamide.
What is the SMILES notation for 2-[3-[[5-(phenylsulfanylmethyl)-1,2-oxazol-3-yl]methyl]piperidin-4-yl]-N-(thiophen-2-ylmethyl)acetamide?
The canonical SMILES for 2-[3-[[5-(phenylsulfanylmethyl)-1,2-oxazol-3-yl]methyl]piperidin-4-yl]-N-(thiophen-2-ylmethyl)acetamide is O=C(CC1CCNCC1Cc1cc(CSc2ccccc2)on1)NCc1cccs1.
What is the InChIKey of 2-[3-[[5-(phenylsulfanylmethyl)-1,2-oxazol-3-yl]methyl]piperidin-4-yl]-N-(thiophen-2-ylmethyl)acetamide?
The InChIKey is GRMHWDCGUKTXMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3O2S2/c27-23(25-15-22-7-4-10-29-22)12-17-8-9-24-14-18(17)11-19-13-20(28-26-19)16-30-21-5-2-1-3-6-21/h1-7,10,13,17-18,24H,8-9,11-12,14-16H2,(H,25,27).
What are the key properties of 2-[3-[[5-(phenylsulfanylmethyl)-1,2-oxazol-3-yl]methyl]piperidin-4-yl]-N-(thiophen-2-ylmethyl)acetamide?
2-[3-[[5-(phenylsulfanylmethyl)-1,2-oxazol-3-yl]methyl]piperidin-4-yl]-N-(thiophen-2-ylmethyl)acetamide has a molecular weight of 441.62 g/mol, XLogP of 4.50, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[[5-(phenylsulfanylmethyl)-1,2-oxazol-3-yl]methyl]piperidin-4-yl]-N-(thiophen-2-ylmethyl)acetamide is sourced from PubChem (CID 74506182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).