1-[4-[2-[(5-benzyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetyl]phenyl]pyrrolidin-2-one

C21H19N3O3S — CID 8841173

IUPAC1-[4-[2-[(5-benzyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetyl]phenyl]pyrrolidin-2-one
SMILESO=C(CSc1nnc(Cc2ccccc2)o1)c1ccc(N2CCCC2=O)cc1
InChIInChI=1S/C21H19N3O3S/c25-18(16-8-10-17(11-9-16)24-12-4-7-20(24)26)14-28-21-23-22-19(27-21)13-15-5-2-1-3-6-15/h1-3,5-6,8-11H,4,7,12-14H2
InChIKeyUBDGMYIBYHOIGH-UHFFFAOYSA-N
MW393.47 g/mol
LogP3.76
Rot. Bonds7

About 1-[4-[2-[(5-benzyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetyl]phenyl]pyrrolidin-2-one

1-[4-[2-[(5-benzyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetyl]phenyl]pyrrolidin-2-one (PubChem CID 8841173) has the molecular formula C21H19N3O3S and a molecular weight of 393.47 g/mol. Its IUPAC name is 1-[4-[2-[(5-benzyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetyl]phenyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[4-[2-[(5-benzyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetyl]phenyl]pyrrolidin-2-one
PubChem CID8841173
Molecular FormulaC21H19N3O3S
Molecular Weight393.47 g/mol
Exact Mass393.11
IUPAC Name1-[4-[2-[(5-benzyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetyl]phenyl]pyrrolidin-2-one
SMILESO=C(CSc1nnc(Cc2ccccc2)o1)c1ccc(N2CCCC2=O)cc1
InChIInChI=1S/C21H19N3O3S/c25-18(16-8-10-17(11-9-16)24-12-4-7-20(24)26)14-28-21-23-22-19(27-21)13-15-5-2-1-3-6-15/h1-3,5-6,8-11H,4,7,12-14H2
InChIKeyUBDGMYIBYHOIGH-UHFFFAOYSA-N
XLogP3.76
TPSA76.30 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.47
LogP ≤ 53.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-[(5-benzyl-1,3,4-oxadiazol-2-yl)sulfanyl]-1-(4-chlorophenyl)ethanone
CID 854782
1-[4-[2-[[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]phenyl]pyrrolidin-2-one
CID 55404466
1-[4-[2-[(4-benzyl-5-methyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]phenyl]pyrrolidin-2-one
CID 8844789
1-[4-[2-[[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]phenyl]pyrrolidin-2-one
CID 8975056
1-[4-[2-[[5-[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]phenyl]pyrrolidin-2-one
CID 41293009
N-[4-[2-[(5-benzyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetyl]phenyl]methanesulfonamide
CID 8012960
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CID 8752671
1-[4-[2-(1-propan-2-yltetrazol-5-yl)sulfanylacetyl]phenyl]pyrrolidin-2-one
CID 27139734
1-(4-tert-butylphenyl)-2-[[5-[(4-methoxyphenyl)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]ethanone
CID 39922820
2-[(5-benzyl-1,3,4-oxadiazol-2-yl)sulfanyl]-1-(5-phenyl-3,4-dihydropyrazol-2-yl)ethanone
CID 17421627
N-benzyl-2-[[5-[(2-oxopyrrolidin-1-yl)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
CID 39921985
ethyl 2-[(5-benzyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetate
CID 53265037

Frequently Asked Questions

What is the IUPAC name of 1-[4-[2-[(5-benzyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetyl]phenyl]pyrrolidin-2-one?
The IUPAC name of 1-[4-[2-[(5-benzyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetyl]phenyl]pyrrolidin-2-one (CID 8841173) is 1-[4-[2-[(5-benzyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetyl]phenyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[4-[2-[(5-benzyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetyl]phenyl]pyrrolidin-2-one?
The canonical SMILES for 1-[4-[2-[(5-benzyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetyl]phenyl]pyrrolidin-2-one is O=C(CSc1nnc(Cc2ccccc2)o1)c1ccc(N2CCCC2=O)cc1.
What is the InChIKey of 1-[4-[2-[(5-benzyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetyl]phenyl]pyrrolidin-2-one?
The InChIKey is UBDGMYIBYHOIGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N3O3S/c25-18(16-8-10-17(11-9-16)24-12-4-7-20(24)26)14-28-21-23-22-19(27-21)13-15-5-2-1-3-6-15/h1-3,5-6,8-11H,4,7,12-14H2.
What are the key properties of 1-[4-[2-[(5-benzyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetyl]phenyl]pyrrolidin-2-one?
1-[4-[2-[(5-benzyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetyl]phenyl]pyrrolidin-2-one has a molecular weight of 393.47 g/mol, XLogP of 3.76, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[2-[(5-benzyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetyl]phenyl]pyrrolidin-2-one is sourced from PubChem (CID 8841173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).