2-[[5-(phenoxymethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-1-piperidin-1-ylethanone

C16H19N3O3S — CID 864811

IUPAC2-[[5-(phenoxymethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-1-piperidin-1-ylethanone
SMILESO=C(CSc1nnc(COc2ccccc2)o1)N1CCCCC1
InChIInChI=1S/C16H19N3O3S/c20-15(19-9-5-2-6-10-19)12-23-16-18-17-14(22-16)11-21-13-7-3-1-4-8-13/h1,3-4,7-8H,2,5-6,9-12H2
InChIKeyVLPFJFRLLBMCQY-UHFFFAOYSA-N
MW333.41 g/mol
LogP2.75
Rot. Bonds6

About 2-[[5-(phenoxymethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-1-piperidin-1-ylethanone

2-[[5-(phenoxymethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-1-piperidin-1-ylethanone (PubChem CID 864811) has the molecular formula C16H19N3O3S and a molecular weight of 333.41 g/mol. Its IUPAC name is 2-[[5-(phenoxymethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-1-piperidin-1-ylethanone.

Molecular Properties

Compound Name2-[[5-(phenoxymethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-1-piperidin-1-ylethanone
PubChem CID864811
Molecular FormulaC16H19N3O3S
Molecular Weight333.41 g/mol
Exact Mass333.11
IUPAC Name2-[[5-(phenoxymethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-1-piperidin-1-ylethanone
SMILESO=C(CSc1nnc(COc2ccccc2)o1)N1CCCCC1
InChIInChI=1S/C16H19N3O3S/c20-15(19-9-5-2-6-10-19)12-23-16-18-17-14(22-16)11-21-13-7-3-1-4-8-13/h1,3-4,7-8H,2,5-6,9-12H2
InChIKeyVLPFJFRLLBMCQY-UHFFFAOYSA-N
XLogP2.75
TPSA68.46 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.41
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[[5-(phenoxymethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-1-piperidin-1-ylethanone?
The IUPAC name of 2-[[5-(phenoxymethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-1-piperidin-1-ylethanone (CID 864811) is 2-[[5-(phenoxymethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-1-piperidin-1-ylethanone.
What is the SMILES notation for 2-[[5-(phenoxymethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-1-piperidin-1-ylethanone?
The canonical SMILES for 2-[[5-(phenoxymethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-1-piperidin-1-ylethanone is O=C(CSc1nnc(COc2ccccc2)o1)N1CCCCC1.
What is the InChIKey of 2-[[5-(phenoxymethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-1-piperidin-1-ylethanone?
The InChIKey is VLPFJFRLLBMCQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O3S/c20-15(19-9-5-2-6-10-19)12-23-16-18-17-14(22-16)11-21-13-7-3-1-4-8-13/h1,3-4,7-8H,2,5-6,9-12H2.
What are the key properties of 2-[[5-(phenoxymethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-1-piperidin-1-ylethanone?
2-[[5-(phenoxymethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-1-piperidin-1-ylethanone has a molecular weight of 333.41 g/mol, XLogP of 2.75, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-(phenoxymethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-1-piperidin-1-ylethanone is sourced from PubChem (CID 864811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).