1-[[5-[[(2R)-1,2,3,4-tetrahydronaphthalen-2-yl]sulfanyl]-1,3,4-oxadiazol-2-yl]methyl]pyrrolidin-2-one

C17H19N3O2S — CID 99617679

IUPAC1-[[5-[[(2R)-1,2,3,4-tetrahydronaphthalen-2-yl]sulfanyl]-1,3,4-oxadiazol-2-yl]methyl]pyrrolidin-2-one
SMILESO=C1CCCN1Cc1nnc(S[C@@H]2CCc3ccccc3C2)o1
InChIInChI=1S/C17H19N3O2S/c21-16-6-3-9-20(16)11-15-18-19-17(22-15)23-14-8-7-12-4-1-2-5-13(12)10-14/h1-2,4-5,14H,3,6-11H2/t14-/m1/s1
InChIKeyBDYAWNDOVRQRAK-CQSZACIVSA-N
MW329.42 g/mol
LogP2.84
Rot. Bonds4

About 1-[[5-[[(2R)-1,2,3,4-tetrahydronaphthalen-2-yl]sulfanyl]-1,3,4-oxadiazol-2-yl]methyl]pyrrolidin-2-one

1-[[5-[[(2R)-1,2,3,4-tetrahydronaphthalen-2-yl]sulfanyl]-1,3,4-oxadiazol-2-yl]methyl]pyrrolidin-2-one (PubChem CID 99617679) has the molecular formula C17H19N3O2S and a molecular weight of 329.42 g/mol. Its IUPAC name is 1-[[5-[[(2R)-1,2,3,4-tetrahydronaphthalen-2-yl]sulfanyl]-1,3,4-oxadiazol-2-yl]methyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[[5-[[(2R)-1,2,3,4-tetrahydronaphthalen-2-yl]sulfanyl]-1,3,4-oxadiazol-2-yl]methyl]pyrrolidin-2-one
PubChem CID99617679
Molecular FormulaC17H19N3O2S
Molecular Weight329.42 g/mol
Exact Mass329.12
IUPAC Name1-[[5-[[(2R)-1,2,3,4-tetrahydronaphthalen-2-yl]sulfanyl]-1,3,4-oxadiazol-2-yl]methyl]pyrrolidin-2-one
SMILESO=C1CCCN1Cc1nnc(S[C@@H]2CCc3ccccc3C2)o1
InChIInChI=1S/C17H19N3O2S/c21-16-6-3-9-20(16)11-15-18-19-17(22-15)23-14-8-7-12-4-1-2-5-13(12)10-14/h1-2,4-5,14H,3,6-11H2/t14-/m1/s1
InChIKeyBDYAWNDOVRQRAK-CQSZACIVSA-N
XLogP2.84
TPSA59.23 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.42
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-[[5-[[(2R)-1,2,3,4-tetrahydronaphthalen-2-yl]sulfanyl]-1,3,4-oxadiazol-2-yl]methyl]pyrrolidin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[[5-[[(2R)-1,2,3,4-tetrahydronaphthalen-2-yl]sulfanyl]-1,3,4-oxadiazol-2-yl]methyl]pyrrolidin-2-one?
The IUPAC name of 1-[[5-[[(2R)-1,2,3,4-tetrahydronaphthalen-2-yl]sulfanyl]-1,3,4-oxadiazol-2-yl]methyl]pyrrolidin-2-one (CID 99617679) is 1-[[5-[[(2R)-1,2,3,4-tetrahydronaphthalen-2-yl]sulfanyl]-1,3,4-oxadiazol-2-yl]methyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[[5-[[(2R)-1,2,3,4-tetrahydronaphthalen-2-yl]sulfanyl]-1,3,4-oxadiazol-2-yl]methyl]pyrrolidin-2-one?
The canonical SMILES for 1-[[5-[[(2R)-1,2,3,4-tetrahydronaphthalen-2-yl]sulfanyl]-1,3,4-oxadiazol-2-yl]methyl]pyrrolidin-2-one is O=C1CCCN1Cc1nnc(S[C@@H]2CCc3ccccc3C2)o1.
What is the InChIKey of 1-[[5-[[(2R)-1,2,3,4-tetrahydronaphthalen-2-yl]sulfanyl]-1,3,4-oxadiazol-2-yl]methyl]pyrrolidin-2-one?
The InChIKey is BDYAWNDOVRQRAK-CQSZACIVSA-N. The full InChI is InChI=1S/C17H19N3O2S/c21-16-6-3-9-20(16)11-15-18-19-17(22-15)23-14-8-7-12-4-1-2-5-13(12)10-14/h1-2,4-5,14H,3,6-11H2/t14-/m1/s1.
What are the key properties of 1-[[5-[[(2R)-1,2,3,4-tetrahydronaphthalen-2-yl]sulfanyl]-1,3,4-oxadiazol-2-yl]methyl]pyrrolidin-2-one?
1-[[5-[[(2R)-1,2,3,4-tetrahydronaphthalen-2-yl]sulfanyl]-1,3,4-oxadiazol-2-yl]methyl]pyrrolidin-2-one has a molecular weight of 329.42 g/mol, XLogP of 2.84, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[5-[[(2R)-1,2,3,4-tetrahydronaphthalen-2-yl]sulfanyl]-1,3,4-oxadiazol-2-yl]methyl]pyrrolidin-2-one is sourced from PubChem (CID 99617679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).