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

C18H17N3O2S — CID 3381707

IUPAC2-[(5-naphthalen-1-yl-1,3,4-oxadiazol-2-yl)sulfanyl]-1-pyrrolidin-1-ylethanone
SMILESO=C(CSc1nnc(-c2cccc3ccccc23)o1)N1CCCC1
InChIInChI=1S/C18H17N3O2S/c22-16(21-10-3-4-11-21)12-24-18-20-19-17(23-18)15-9-5-7-13-6-1-2-8-14(13)15/h1-2,5-9H,3-4,10-12H2
InChIKeyDELIBEMDSNJZGK-UHFFFAOYSA-N
MW339.42 g/mol
LogP3.60
Rot. Bonds4

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

2-[(5-naphthalen-1-yl-1,3,4-oxadiazol-2-yl)sulfanyl]-1-pyrrolidin-1-ylethanone (PubChem CID 3381707) has the molecular formula C18H17N3O2S and a molecular weight of 339.42 g/mol. Its IUPAC name is 2-[(5-naphthalen-1-yl-1,3,4-oxadiazol-2-yl)sulfanyl]-1-pyrrolidin-1-ylethanone.

Molecular Properties

Compound Name2-[(5-naphthalen-1-yl-1,3,4-oxadiazol-2-yl)sulfanyl]-1-pyrrolidin-1-ylethanone
PubChem CID3381707
Molecular FormulaC18H17N3O2S
Molecular Weight339.42 g/mol
Exact Mass339.10
IUPAC Name2-[(5-naphthalen-1-yl-1,3,4-oxadiazol-2-yl)sulfanyl]-1-pyrrolidin-1-ylethanone
SMILESO=C(CSc1nnc(-c2cccc3ccccc23)o1)N1CCCC1
InChIInChI=1S/C18H17N3O2S/c22-16(21-10-3-4-11-21)12-24-18-20-19-17(23-18)15-9-5-7-13-6-1-2-8-14(13)15/h1-2,5-9H,3-4,10-12H2
InChIKeyDELIBEMDSNJZGK-UHFFFAOYSA-N
XLogP3.60
TPSA59.23 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.42
LogP ≤ 53.60
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-pyrrolidin-1-ylethanone?
The IUPAC name of 2-[(5-naphthalen-1-yl-1,3,4-oxadiazol-2-yl)sulfanyl]-1-pyrrolidin-1-ylethanone (CID 3381707) is 2-[(5-naphthalen-1-yl-1,3,4-oxadiazol-2-yl)sulfanyl]-1-pyrrolidin-1-ylethanone.
What is the SMILES notation for 2-[(5-naphthalen-1-yl-1,3,4-oxadiazol-2-yl)sulfanyl]-1-pyrrolidin-1-ylethanone?
The canonical SMILES for 2-[(5-naphthalen-1-yl-1,3,4-oxadiazol-2-yl)sulfanyl]-1-pyrrolidin-1-ylethanone is O=C(CSc1nnc(-c2cccc3ccccc23)o1)N1CCCC1.
What is the InChIKey of 2-[(5-naphthalen-1-yl-1,3,4-oxadiazol-2-yl)sulfanyl]-1-pyrrolidin-1-ylethanone?
The InChIKey is DELIBEMDSNJZGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O2S/c22-16(21-10-3-4-11-21)12-24-18-20-19-17(23-18)15-9-5-7-13-6-1-2-8-14(13)15/h1-2,5-9H,3-4,10-12H2.
What are the key properties of 2-[(5-naphthalen-1-yl-1,3,4-oxadiazol-2-yl)sulfanyl]-1-pyrrolidin-1-ylethanone?
2-[(5-naphthalen-1-yl-1,3,4-oxadiazol-2-yl)sulfanyl]-1-pyrrolidin-1-ylethanone has a molecular weight of 339.42 g/mol, XLogP of 3.60, 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-pyrrolidin-1-ylethanone is sourced from PubChem (CID 3381707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).