1-(2-fluorophenyl)-2-[[5-(4-morpholin-4-ylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]ethanone

C20H18FN3O5S2 — CID 650831

IUPAC1-(2-fluorophenyl)-2-[[5-(4-morpholin-4-ylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]ethanone
SMILESO=C(CSc1nnc(-c2ccc(S(=O)(=O)N3CCOCC3)cc2)o1)c1ccccc1F
InChIInChI=1S/C20H18FN3O5S2/c21-17-4-2-1-3-16(17)18(25)13-30-20-23-22-19(29-20)14-5-7-15(8-6-14)31(26,27)24-9-11-28-12-10-24/h1-8H,9-13H2
InChIKeyBAUCZIWIYJPNQY-UHFFFAOYSA-N
MW463.51 g/mol
LogP2.87
Rot. Bonds7

About 1-(2-fluorophenyl)-2-[[5-(4-morpholin-4-ylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]ethanone

1-(2-fluorophenyl)-2-[[5-(4-morpholin-4-ylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]ethanone (PubChem CID 650831) has the molecular formula C20H18FN3O5S2 and a molecular weight of 463.51 g/mol. Its IUPAC name is 1-(2-fluorophenyl)-2-[[5-(4-morpholin-4-ylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]ethanone.

Molecular Properties

Compound Name1-(2-fluorophenyl)-2-[[5-(4-morpholin-4-ylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]ethanone
PubChem CID650831
Molecular FormulaC20H18FN3O5S2
Molecular Weight463.51 g/mol
Exact Mass463.07
IUPAC Name1-(2-fluorophenyl)-2-[[5-(4-morpholin-4-ylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]ethanone
SMILESO=C(CSc1nnc(-c2ccc(S(=O)(=O)N3CCOCC3)cc2)o1)c1ccccc1F
InChIInChI=1S/C20H18FN3O5S2/c21-17-4-2-1-3-16(17)18(25)13-30-20-23-22-19(29-20)14-5-7-15(8-6-14)31(26,27)24-9-11-28-12-10-24/h1-8H,9-13H2
InChIKeyBAUCZIWIYJPNQY-UHFFFAOYSA-N
XLogP2.87
TPSA102.60 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.51
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 1-(2-fluorophenyl)-2-[[5-(4-morpholin-4-ylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]ethanone?
The IUPAC name of 1-(2-fluorophenyl)-2-[[5-(4-morpholin-4-ylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]ethanone (CID 650831) is 1-(2-fluorophenyl)-2-[[5-(4-morpholin-4-ylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]ethanone.
What is the SMILES notation for 1-(2-fluorophenyl)-2-[[5-(4-morpholin-4-ylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]ethanone?
The canonical SMILES for 1-(2-fluorophenyl)-2-[[5-(4-morpholin-4-ylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]ethanone is O=C(CSc1nnc(-c2ccc(S(=O)(=O)N3CCOCC3)cc2)o1)c1ccccc1F.
What is the InChIKey of 1-(2-fluorophenyl)-2-[[5-(4-morpholin-4-ylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]ethanone?
The InChIKey is BAUCZIWIYJPNQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18FN3O5S2/c21-17-4-2-1-3-16(17)18(25)13-30-20-23-22-19(29-20)14-5-7-15(8-6-14)31(26,27)24-9-11-28-12-10-24/h1-8H,9-13H2.
What are the key properties of 1-(2-fluorophenyl)-2-[[5-(4-morpholin-4-ylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]ethanone?
1-(2-fluorophenyl)-2-[[5-(4-morpholin-4-ylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]ethanone has a molecular weight of 463.51 g/mol, XLogP of 2.87, 7 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluorophenyl)-2-[[5-(4-morpholin-4-ylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]ethanone is sourced from PubChem (CID 650831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).