1-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)-4-sulfanylpyrrolidin-2-one

C11H10N4O2S — CID 168710813

IUPAC1-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)-4-sulfanylpyrrolidin-2-one
SMILESO=C1CC(S)CN1c1nnc(-c2cccnc2)o1
InChIInChI=1S/C11H10N4O2S/c16-9-4-8(18)6-15(9)11-14-13-10(17-11)7-2-1-3-12-5-7/h1-3,5,8,18H,4,6H2
InChIKeySUYQJJIBSRUAPU-UHFFFAOYSA-N
MW262.29 g/mol
LogP1.17
Rot. Bonds2

About 1-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)-4-sulfanylpyrrolidin-2-one

1-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)-4-sulfanylpyrrolidin-2-one (PubChem CID 168710813) has the molecular formula C11H10N4O2S and a molecular weight of 262.29 g/mol. Its IUPAC name is 1-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)-4-sulfanylpyrrolidin-2-one.

Molecular Properties

Compound Name1-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)-4-sulfanylpyrrolidin-2-one
PubChem CID168710813
Molecular FormulaC11H10N4O2S
Molecular Weight262.29 g/mol
Exact Mass262.05
IUPAC Name1-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)-4-sulfanylpyrrolidin-2-one
SMILESO=C1CC(S)CN1c1nnc(-c2cccnc2)o1
InChIInChI=1S/C11H10N4O2S/c16-9-4-8(18)6-15(9)11-14-13-10(17-11)7-2-1-3-12-5-7/h1-3,5,8,18H,4,6H2
InChIKeySUYQJJIBSRUAPU-UHFFFAOYSA-N
XLogP1.17
TPSA72.12 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.29
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

1-(5-phenyl-1,3,4-oxadiazol-2-yl)-4-sulfanylpyrrolidin-2-one
CID 168710808
4-ethenyl-1-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)pyrrolidin-2-one
CID 168686728
cyclohexyl-[(3S)-3-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)pyrrolidin-1-yl]methanone
CID 51137840
1-[5-(4-hydroxyphenyl)-1,3,4-oxadiazol-2-yl]-5-oxopyrrolidine-3-carboxamide
CID 168698630
1-pyridazin-4-yl-4-sulfanylpyrrolidin-2-one
CID 168710654
4-(hydroxymethyl)-1-[5-(4-hydroxyphenyl)-1,3,4-oxadiazol-2-yl]pyrrolidin-2-one
CID 168664338
2-methyl-5-pyridin-3-yl-1,3,4-oxadiazole
CID 5052252
2-[1-(benzenesulfonyl)pyrrolidin-3-yl]-5-pyridin-3-yl-1,3,4-oxadiazole
CID 110236000
5-pyridin-3-yl-1,3,4-oxadiazole-2-carbaldehyde
CID 21031007
1-(4-phenylphenyl)-4-sulfanylpyrrolidin-2-one
CID 168709962
1-[5-(4-hydroxyphenyl)-1,3,4-oxadiazol-2-yl]-5-oxopyrrolidine-3-sulfonyl fluoride
CID 168716315
2-[(3S)-1-(4-fluorophenyl)sulfonylpyrrolidin-3-yl]-5-pyridin-3-yl-1,3,4-oxadiazole
CID 92570977

Frequently Asked Questions

What is the IUPAC name of 1-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)-4-sulfanylpyrrolidin-2-one?
The IUPAC name of 1-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)-4-sulfanylpyrrolidin-2-one (CID 168710813) is 1-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)-4-sulfanylpyrrolidin-2-one.
What is the SMILES notation for 1-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)-4-sulfanylpyrrolidin-2-one?
The canonical SMILES for 1-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)-4-sulfanylpyrrolidin-2-one is O=C1CC(S)CN1c1nnc(-c2cccnc2)o1.
What is the InChIKey of 1-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)-4-sulfanylpyrrolidin-2-one?
The InChIKey is SUYQJJIBSRUAPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N4O2S/c16-9-4-8(18)6-15(9)11-14-13-10(17-11)7-2-1-3-12-5-7/h1-3,5,8,18H,4,6H2.
What are the key properties of 1-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)-4-sulfanylpyrrolidin-2-one?
1-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)-4-sulfanylpyrrolidin-2-one has a molecular weight of 262.29 g/mol, XLogP of 1.17, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)-4-sulfanylpyrrolidin-2-one is sourced from PubChem (CID 168710813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).