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

C19H19N3O2S — CID 3949857

IUPAC2-[(5-naphthalen-1-yl-1,3,4-oxadiazol-2-yl)sulfanyl]-1-piperidin-1-ylethanone
SMILESO=C(CSc1nnc(-c2cccc3ccccc23)o1)N1CCCCC1
InChIInChI=1S/C19H19N3O2S/c23-17(22-11-4-1-5-12-22)13-25-19-21-20-18(24-19)16-10-6-8-14-7-2-3-9-15(14)16/h2-3,6-10H,1,4-5,11-13H2
InChIKeyQCURYLWDQWEKCP-UHFFFAOYSA-N
MW353.45 g/mol
LogP3.99
Rot. Bonds4

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

2-[(5-naphthalen-1-yl-1,3,4-oxadiazol-2-yl)sulfanyl]-1-piperidin-1-ylethanone (PubChem CID 3949857) has the molecular formula C19H19N3O2S and a molecular weight of 353.45 g/mol. Its IUPAC name is 2-[(5-naphthalen-1-yl-1,3,4-oxadiazol-2-yl)sulfanyl]-1-piperidin-1-ylethanone.

Molecular Properties

Compound Name2-[(5-naphthalen-1-yl-1,3,4-oxadiazol-2-yl)sulfanyl]-1-piperidin-1-ylethanone
PubChem CID3949857
Molecular FormulaC19H19N3O2S
Molecular Weight353.45 g/mol
Exact Mass353.12
IUPAC Name2-[(5-naphthalen-1-yl-1,3,4-oxadiazol-2-yl)sulfanyl]-1-piperidin-1-ylethanone
SMILESO=C(CSc1nnc(-c2cccc3ccccc23)o1)N1CCCCC1
InChIInChI=1S/C19H19N3O2S/c23-17(22-11-4-1-5-12-22)13-25-19-21-20-18(24-19)16-10-6-8-14-7-2-3-9-15(14)16/h2-3,6-10H,1,4-5,11-13H2
InChIKeyQCURYLWDQWEKCP-UHFFFAOYSA-N
XLogP3.99
TPSA59.23 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.45
LogP ≤ 53.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(5-naphthalen-1-yl-1,3,4-oxadiazol-2-yl)sulfanyl]-1-piperidin-1-ylethanone?
The IUPAC name of 2-[(5-naphthalen-1-yl-1,3,4-oxadiazol-2-yl)sulfanyl]-1-piperidin-1-ylethanone (CID 3949857) is 2-[(5-naphthalen-1-yl-1,3,4-oxadiazol-2-yl)sulfanyl]-1-piperidin-1-ylethanone.
What is the SMILES notation for 2-[(5-naphthalen-1-yl-1,3,4-oxadiazol-2-yl)sulfanyl]-1-piperidin-1-ylethanone?
The canonical SMILES for 2-[(5-naphthalen-1-yl-1,3,4-oxadiazol-2-yl)sulfanyl]-1-piperidin-1-ylethanone is O=C(CSc1nnc(-c2cccc3ccccc23)o1)N1CCCCC1.
What is the InChIKey of 2-[(5-naphthalen-1-yl-1,3,4-oxadiazol-2-yl)sulfanyl]-1-piperidin-1-ylethanone?
The InChIKey is QCURYLWDQWEKCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O2S/c23-17(22-11-4-1-5-12-22)13-25-19-21-20-18(24-19)16-10-6-8-14-7-2-3-9-15(14)16/h2-3,6-10H,1,4-5,11-13H2.
What are the key properties of 2-[(5-naphthalen-1-yl-1,3,4-oxadiazol-2-yl)sulfanyl]-1-piperidin-1-ylethanone?
2-[(5-naphthalen-1-yl-1,3,4-oxadiazol-2-yl)sulfanyl]-1-piperidin-1-ylethanone has a molecular weight of 353.45 g/mol, XLogP of 3.99, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-naphthalen-1-yl-1,3,4-oxadiazol-2-yl)sulfanyl]-1-piperidin-1-ylethanone is sourced from PubChem (CID 3949857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).