ethyl 4-[[2-[(4,5-diphenyl-1,3-oxazol-2-yl)sulfanyl]acetyl]amino]piperidine-1-carboxylate

C25H27N3O4S — CID 27954713

IUPACethyl 4-[[2-[(4,5-diphenyl-1,3-oxazol-2-yl)sulfanyl]acetyl]amino]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(NC(=O)CSc2nc(-c3ccccc3)c(-c3ccccc3)o2)CC1
InChIInChI=1S/C25H27N3O4S/c1-2-31-25(30)28-15-13-20(14-16-28)26-21(29)17-33-24-27-22(18-9-5-3-6-10-18)23(32-24)19-11-7-4-8-12-19/h3-12,20H,2,13-17H2,1H3,(H,26,29)
InChIKeyMYROGSVKQDRVKM-UHFFFAOYSA-N
MW465.58 g/mol
LogP4.84
Rot. Bonds7

About ethyl 4-[[2-[(4,5-diphenyl-1,3-oxazol-2-yl)sulfanyl]acetyl]amino]piperidine-1-carboxylate

ethyl 4-[[2-[(4,5-diphenyl-1,3-oxazol-2-yl)sulfanyl]acetyl]amino]piperidine-1-carboxylate (PubChem CID 27954713) has the molecular formula C25H27N3O4S and a molecular weight of 465.58 g/mol. Its IUPAC name is ethyl 4-[[2-[(4,5-diphenyl-1,3-oxazol-2-yl)sulfanyl]acetyl]amino]piperidine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-[[2-[(4,5-diphenyl-1,3-oxazol-2-yl)sulfanyl]acetyl]amino]piperidine-1-carboxylate
PubChem CID27954713
Molecular FormulaC25H27N3O4S
Molecular Weight465.58 g/mol
Exact Mass465.17
IUPAC Nameethyl 4-[[2-[(4,5-diphenyl-1,3-oxazol-2-yl)sulfanyl]acetyl]amino]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(NC(=O)CSc2nc(-c3ccccc3)c(-c3ccccc3)o2)CC1
InChIInChI=1S/C25H27N3O4S/c1-2-31-25(30)28-15-13-20(14-16-28)26-21(29)17-33-24-27-22(18-9-5-3-6-10-18)23(32-24)19-11-7-4-8-12-19/h3-12,20H,2,13-17H2,1H3,(H,26,29)
InChIKeyMYROGSVKQDRVKM-UHFFFAOYSA-N
XLogP4.84
TPSA84.67 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.58
LogP ≤ 54.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze ethyl 4-[[2-[(4,5-diphenyl-1,3-oxazol-2-yl)sulfanyl]acetyl]amino]piperidine-1-carboxylate with MolForge

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Related Compounds

ethyl 4-[[2-[(4,5-diphenyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]piperidine-1-carboxylate
CID 43004410
N-(2-adamantyl)-2-[(4,5-diphenyl-1,3-oxazol-2-yl)sulfanyl]acetamide
CID 5219543
ethyl 4-[[2-(1-methylbenzimidazol-2-yl)sulfanylacetyl]amino]piperidine-1-carboxylate
CID 27929688
ethyl 4-[[2-[(4-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]piperidine-1-carboxylate
CID 27902875
ethyl 4-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)propanoylamino]piperidine-1-carboxylate
CID 31369329
ethyl 4-[[2-(4-phenylphenoxy)acetyl]amino]piperidine-1-carboxylate
CID 4009402
ethyl 4-benzamidopiperidine-1-carboxylate
CID 18120666
ethyl 4-[[2-(4-chlorophenyl)sulfanylacetyl]amino]piperidine-1-carboxylate
CID 26776895
ethyl 4-[(1,5-diphenyl-1,2,4-triazole-3-carbonyl)amino]piperidine-1-carboxylate
CID 46636610
ethyl 4-[[3-(5-methyl-1,3,4-oxadiazol-2-yl)-3-phenylpropanoyl]amino]piperidine-1-carboxylate
CID 110413335
ethyl 4-[[2-[1-(benzenesulfonyl)benzimidazol-2-yl]sulfanylacetyl]amino]piperidine-1-carboxylate
CID 6616633
2-[(4,5-diphenyl-1,3-oxazol-2-yl)sulfanyl]-N-(prop-2-enylcarbamoyl)acetamide
CID 4814204

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[[2-[(4,5-diphenyl-1,3-oxazol-2-yl)sulfanyl]acetyl]amino]piperidine-1-carboxylate?
The IUPAC name of ethyl 4-[[2-[(4,5-diphenyl-1,3-oxazol-2-yl)sulfanyl]acetyl]amino]piperidine-1-carboxylate (CID 27954713) is ethyl 4-[[2-[(4,5-diphenyl-1,3-oxazol-2-yl)sulfanyl]acetyl]amino]piperidine-1-carboxylate.
What is the SMILES notation for ethyl 4-[[2-[(4,5-diphenyl-1,3-oxazol-2-yl)sulfanyl]acetyl]amino]piperidine-1-carboxylate?
The canonical SMILES for ethyl 4-[[2-[(4,5-diphenyl-1,3-oxazol-2-yl)sulfanyl]acetyl]amino]piperidine-1-carboxylate is CCOC(=O)N1CCC(NC(=O)CSc2nc(-c3ccccc3)c(-c3ccccc3)o2)CC1.
What is the InChIKey of ethyl 4-[[2-[(4,5-diphenyl-1,3-oxazol-2-yl)sulfanyl]acetyl]amino]piperidine-1-carboxylate?
The InChIKey is MYROGSVKQDRVKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N3O4S/c1-2-31-25(30)28-15-13-20(14-16-28)26-21(29)17-33-24-27-22(18-9-5-3-6-10-18)23(32-24)19-11-7-4-8-12-19/h3-12,20H,2,13-17H2,1H3,(H,26,29).
What are the key properties of ethyl 4-[[2-[(4,5-diphenyl-1,3-oxazol-2-yl)sulfanyl]acetyl]amino]piperidine-1-carboxylate?
ethyl 4-[[2-[(4,5-diphenyl-1,3-oxazol-2-yl)sulfanyl]acetyl]amino]piperidine-1-carboxylate has a molecular weight of 465.58 g/mol, XLogP of 4.84, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[[2-[(4,5-diphenyl-1,3-oxazol-2-yl)sulfanyl]acetyl]amino]piperidine-1-carboxylate is sourced from PubChem (CID 27954713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).