[(2R)-2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]-(2,5-dimethylthiophen-3-yl)methanone

C16H19N3O2S — CID 97003510

IUPAC[(2R)-2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]-(2,5-dimethylthiophen-3-yl)methanone
SMILESCc1cc(C(=O)N2CCC[C@@H]2c2noc(C3CC3)n2)c(C)s1
InChIInChI=1S/C16H19N3O2S/c1-9-8-12(10(2)22-9)16(20)19-7-3-4-13(19)14-17-15(21-18-14)11-5-6-11/h8,11,13H,3-7H2,1-2H3/t13-/m1/s1
InChIKeyLRMVBYXGPMEKFY-CYBMUJFWSA-N
MW317.41 g/mol
LogP3.60
Rot. Bonds3

About [(2R)-2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]-(2,5-dimethylthiophen-3-yl)methanone

[(2R)-2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]-(2,5-dimethylthiophen-3-yl)methanone (PubChem CID 97003510) has the molecular formula C16H19N3O2S and a molecular weight of 317.41 g/mol. Its IUPAC name is [(2R)-2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]-(2,5-dimethylthiophen-3-yl)methanone.

Molecular Properties

Compound Name[(2R)-2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]-(2,5-dimethylthiophen-3-yl)methanone
PubChem CID97003510
Molecular FormulaC16H19N3O2S
Molecular Weight317.41 g/mol
Exact Mass317.12
IUPAC Name[(2R)-2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]-(2,5-dimethylthiophen-3-yl)methanone
SMILESCc1cc(C(=O)N2CCC[C@@H]2c2noc(C3CC3)n2)c(C)s1
InChIInChI=1S/C16H19N3O2S/c1-9-8-12(10(2)22-9)16(20)19-7-3-4-13(19)14-17-15(21-18-14)11-5-6-11/h8,11,13H,3-7H2,1-2H3/t13-/m1/s1
InChIKeyLRMVBYXGPMEKFY-CYBMUJFWSA-N
XLogP3.60
TPSA59.23 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.41
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze [(2R)-2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]-(2,5-dimethylthiophen-3-yl)methanone 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 [(2R)-2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]-(2,5-dimethylthiophen-3-yl)methanone?
The IUPAC name of [(2R)-2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]-(2,5-dimethylthiophen-3-yl)methanone (CID 97003510) is [(2R)-2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]-(2,5-dimethylthiophen-3-yl)methanone.
What is the SMILES notation for [(2R)-2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]-(2,5-dimethylthiophen-3-yl)methanone?
The canonical SMILES for [(2R)-2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]-(2,5-dimethylthiophen-3-yl)methanone is Cc1cc(C(=O)N2CCC[C@@H]2c2noc(C3CC3)n2)c(C)s1.
What is the InChIKey of [(2R)-2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]-(2,5-dimethylthiophen-3-yl)methanone?
The InChIKey is LRMVBYXGPMEKFY-CYBMUJFWSA-N. The full InChI is InChI=1S/C16H19N3O2S/c1-9-8-12(10(2)22-9)16(20)19-7-3-4-13(19)14-17-15(21-18-14)11-5-6-11/h8,11,13H,3-7H2,1-2H3/t13-/m1/s1.
What are the key properties of [(2R)-2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]-(2,5-dimethylthiophen-3-yl)methanone?
[(2R)-2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]-(2,5-dimethylthiophen-3-yl)methanone has a molecular weight of 317.41 g/mol, XLogP of 3.60, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]-(2,5-dimethylthiophen-3-yl)methanone is sourced from PubChem (CID 97003510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).