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

C20H14N2O2S — CID 4666738

IUPAC2-[(5-naphthalen-1-yl-1,3,4-oxadiazol-2-yl)sulfanyl]-1-phenylethanone
SMILESO=C(CSc1nnc(-c2cccc3ccccc23)o1)c1ccccc1
InChIInChI=1S/C20H14N2O2S/c23-18(15-8-2-1-3-9-15)13-25-20-22-21-19(24-20)17-12-6-10-14-7-4-5-11-16(14)17/h1-12H,13H2
InChIKeyWBVVNANGUBPSMA-UHFFFAOYSA-N
MW346.41 g/mol
LogP4.86
Rot. Bonds5

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

2-[(5-naphthalen-1-yl-1,3,4-oxadiazol-2-yl)sulfanyl]-1-phenylethanone (PubChem CID 4666738) has the molecular formula C20H14N2O2S and a molecular weight of 346.41 g/mol. Its IUPAC name is 2-[(5-naphthalen-1-yl-1,3,4-oxadiazol-2-yl)sulfanyl]-1-phenylethanone.

Molecular Properties

Compound Name2-[(5-naphthalen-1-yl-1,3,4-oxadiazol-2-yl)sulfanyl]-1-phenylethanone
PubChem CID4666738
Molecular FormulaC20H14N2O2S
Molecular Weight346.41 g/mol
Exact Mass346.08
IUPAC Name2-[(5-naphthalen-1-yl-1,3,4-oxadiazol-2-yl)sulfanyl]-1-phenylethanone
SMILESO=C(CSc1nnc(-c2cccc3ccccc23)o1)c1ccccc1
InChIInChI=1S/C20H14N2O2S/c23-18(15-8-2-1-3-9-15)13-25-20-22-21-19(24-20)17-12-6-10-14-7-4-5-11-16(14)17/h1-12H,13H2
InChIKeyWBVVNANGUBPSMA-UHFFFAOYSA-N
XLogP4.86
TPSA55.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.41
LogP ≤ 54.86
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-phenylethanone?
The IUPAC name of 2-[(5-naphthalen-1-yl-1,3,4-oxadiazol-2-yl)sulfanyl]-1-phenylethanone (CID 4666738) is 2-[(5-naphthalen-1-yl-1,3,4-oxadiazol-2-yl)sulfanyl]-1-phenylethanone.
What is the SMILES notation for 2-[(5-naphthalen-1-yl-1,3,4-oxadiazol-2-yl)sulfanyl]-1-phenylethanone?
The canonical SMILES for 2-[(5-naphthalen-1-yl-1,3,4-oxadiazol-2-yl)sulfanyl]-1-phenylethanone is O=C(CSc1nnc(-c2cccc3ccccc23)o1)c1ccccc1.
What is the InChIKey of 2-[(5-naphthalen-1-yl-1,3,4-oxadiazol-2-yl)sulfanyl]-1-phenylethanone?
The InChIKey is WBVVNANGUBPSMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14N2O2S/c23-18(15-8-2-1-3-9-15)13-25-20-22-21-19(24-20)17-12-6-10-14-7-4-5-11-16(14)17/h1-12H,13H2.
What are the key properties of 2-[(5-naphthalen-1-yl-1,3,4-oxadiazol-2-yl)sulfanyl]-1-phenylethanone?
2-[(5-naphthalen-1-yl-1,3,4-oxadiazol-2-yl)sulfanyl]-1-phenylethanone has a molecular weight of 346.41 g/mol, XLogP of 4.86, 5 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-phenylethanone is sourced from PubChem (CID 4666738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).