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

C20H13FN2O2S — CID 7443903

IUPAC2-[[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-1-naphthalen-2-ylethanone
SMILESO=C(CSc1nnc(-c2ccccc2F)o1)c1ccc2ccccc2c1
InChIInChI=1S/C20H13FN2O2S/c21-17-8-4-3-7-16(17)19-22-23-20(25-19)26-12-18(24)15-10-9-13-5-1-2-6-14(13)11-15/h1-11H,12H2
InChIKeyIDAYDJSWLHSURK-UHFFFAOYSA-N
MW364.40 g/mol
LogP5.00
Rot. Bonds5

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

2-[[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-1-naphthalen-2-ylethanone (PubChem CID 7443903) has the molecular formula C20H13FN2O2S and a molecular weight of 364.40 g/mol. Its IUPAC name is 2-[[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-1-naphthalen-2-ylethanone.

Molecular Properties

Compound Name2-[[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-1-naphthalen-2-ylethanone
PubChem CID7443903
Molecular FormulaC20H13FN2O2S
Molecular Weight364.40 g/mol
Exact Mass364.07
IUPAC Name2-[[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-1-naphthalen-2-ylethanone
SMILESO=C(CSc1nnc(-c2ccccc2F)o1)c1ccc2ccccc2c1
InChIInChI=1S/C20H13FN2O2S/c21-17-8-4-3-7-16(17)19-22-23-20(25-19)26-12-18(24)15-10-9-13-5-1-2-6-14(13)11-15/h1-11H,12H2
InChIKeyIDAYDJSWLHSURK-UHFFFAOYSA-N
XLogP5.00
TPSA55.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500364.40
LogP ≤ 55.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-(3,4-dihydroxyphenyl)-2-[[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]ethanone
CID 7417980
1-[2,5-dimethyl-1-(oxolan-2-ylmethyl)pyrrol-3-yl]-2-[[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]ethanone
CID 4880915
cyclohexyl 2-[[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetate
CID 859802
2-[[5-[(1S)-1-(4-fluorophenoxy)ethyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-1-naphthalen-2-ylethanone
CID 41061621
N-(4-fluorophenyl)-2-[[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
CID 5243510
N-(3-fluoro-4-methylphenyl)-2-[[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
CID 3979982
2-[(5-naphthalen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide
CID 4019395
N-[(1R,2R,3R)-2,3-dimethylcyclohexyl]-2-[[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
CID 11904781
2-[[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-phenyl-N-propan-2-ylacetamide
CID 7444334
1-(3,4-dihydro-2H-quinolin-1-yl)-2-[[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]ethanone
CID 1073188
2-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-1-(3-fluorophenyl)ethanone
CID 8675663
N-(4-tert-butylphenyl)-2-[[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
CID 4221337

Frequently Asked Questions

What is the IUPAC name of 2-[[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-1-naphthalen-2-ylethanone?
The IUPAC name of 2-[[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-1-naphthalen-2-ylethanone (CID 7443903) is 2-[[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-1-naphthalen-2-ylethanone.
What is the SMILES notation for 2-[[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-1-naphthalen-2-ylethanone?
The canonical SMILES for 2-[[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-1-naphthalen-2-ylethanone is O=C(CSc1nnc(-c2ccccc2F)o1)c1ccc2ccccc2c1.
What is the InChIKey of 2-[[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-1-naphthalen-2-ylethanone?
The InChIKey is IDAYDJSWLHSURK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13FN2O2S/c21-17-8-4-3-7-16(17)19-22-23-20(25-19)26-12-18(24)15-10-9-13-5-1-2-6-14(13)11-15/h1-11H,12H2.
What are the key properties of 2-[[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-1-naphthalen-2-ylethanone?
2-[[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-1-naphthalen-2-ylethanone has a molecular weight of 364.40 g/mol, XLogP of 5.00, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-1-naphthalen-2-ylethanone is sourced from PubChem (CID 7443903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).