2-benzyl-5-[(3S)-1-(thiophen-2-ylmethyl)pyrrolidin-3-yl]-1,3,4-oxadiazole

C18H19N3OS — CID 51137403

IUPAC2-benzyl-5-[(3S)-1-(thiophen-2-ylmethyl)pyrrolidin-3-yl]-1,3,4-oxadiazole
SMILESc1ccc(Cc2nnc([C@H]3CCN(Cc4cccs4)C3)o2)cc1
InChIInChI=1S/C18H19N3OS/c1-2-5-14(6-3-1)11-17-19-20-18(22-17)15-8-9-21(12-15)13-16-7-4-10-23-16/h1-7,10,15H,8-9,11-13H2/t15-/m0/s1
InChIKeyHAMHHZQGYJAUHC-HNNXBMFYSA-N
MW325.44 g/mol
LogP3.71
Rot. Bonds5

About 2-benzyl-5-[(3S)-1-(thiophen-2-ylmethyl)pyrrolidin-3-yl]-1,3,4-oxadiazole

2-benzyl-5-[(3S)-1-(thiophen-2-ylmethyl)pyrrolidin-3-yl]-1,3,4-oxadiazole (PubChem CID 51137403) has the molecular formula C18H19N3OS and a molecular weight of 325.44 g/mol. Its IUPAC name is 2-benzyl-5-[(3S)-1-(thiophen-2-ylmethyl)pyrrolidin-3-yl]-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-benzyl-5-[(3S)-1-(thiophen-2-ylmethyl)pyrrolidin-3-yl]-1,3,4-oxadiazole
PubChem CID51137403
Molecular FormulaC18H19N3OS
Molecular Weight325.44 g/mol
Exact Mass325.12
IUPAC Name2-benzyl-5-[(3S)-1-(thiophen-2-ylmethyl)pyrrolidin-3-yl]-1,3,4-oxadiazole
SMILESc1ccc(Cc2nnc([C@H]3CCN(Cc4cccs4)C3)o2)cc1
InChIInChI=1S/C18H19N3OS/c1-2-5-14(6-3-1)11-17-19-20-18(22-17)15-8-9-21(12-15)13-16-7-4-10-23-16/h1-7,10,15H,8-9,11-13H2/t15-/m0/s1
InChIKeyHAMHHZQGYJAUHC-HNNXBMFYSA-N
XLogP3.71
TPSA42.16 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.44
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-benzyl-5-[(3S)-1-(thiophen-2-ylmethyl)pyrrolidin-3-yl]-1,3,4-oxadiazole with MolForge

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

Launch Full Analysis

Related Compounds

4-[[3-(5-benzyl-1,3,4-oxadiazol-2-yl)pyrrolidin-1-yl]methyl]benzonitrile
CID 75615380
2-(2-fluorophenyl)-5-[(3S)-1-(thiophen-2-ylmethyl)pyrrolidin-3-yl]-1,3,4-oxadiazole
CID 51137666
2-propyl-5-[(3S)-1-(pyridin-4-ylmethyl)pyrrolidin-3-yl]-1,3,4-oxadiazole
CID 51137575
N-methyl-1-(thiophen-2-ylmethyl)pyrrolidin-3-amine
CID 60861984
3-(2-methylphenyl)-5-[1-(thiophen-2-ylmethyl)pyrrolidin-3-yl]-1,2,4-oxadiazole
CID 127244653
(3S)-N-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]-N-methyl-1-(2-thiophen-2-ylethyl)pyrrolidin-3-amine
CID 96998564
2-(1-ethylsulfonylpiperidin-2-yl)-5-[1-(thiophen-2-ylmethyl)piperidin-4-yl]-1,3,4-oxadiazole
CID 110247239
(2R)-2-(2-phenylethyl)-4-(thiophen-2-ylmethyl)morpholine
CID 28767913
2-[1-(thiophen-2-ylmethyl)pyrrolidin-3-yl]-1H-imidazo[4,5-b]pyridine
CID 75131770
2-phenyl-5-[1-[[4-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-yl]-1,3,4-oxadiazole
CID 75615219
1-(thiophen-2-ylmethyl)pyrrolidine-3-carboxylic acid
CID 63031199
N-methyl-N-(2-phenylethyl)-1-(thiophen-2-ylmethyl)piperidin-3-amine
CID 45189224

Frequently Asked Questions

What is the IUPAC name of 2-benzyl-5-[(3S)-1-(thiophen-2-ylmethyl)pyrrolidin-3-yl]-1,3,4-oxadiazole?
The IUPAC name of 2-benzyl-5-[(3S)-1-(thiophen-2-ylmethyl)pyrrolidin-3-yl]-1,3,4-oxadiazole (CID 51137403) is 2-benzyl-5-[(3S)-1-(thiophen-2-ylmethyl)pyrrolidin-3-yl]-1,3,4-oxadiazole.
What is the SMILES notation for 2-benzyl-5-[(3S)-1-(thiophen-2-ylmethyl)pyrrolidin-3-yl]-1,3,4-oxadiazole?
The canonical SMILES for 2-benzyl-5-[(3S)-1-(thiophen-2-ylmethyl)pyrrolidin-3-yl]-1,3,4-oxadiazole is c1ccc(Cc2nnc([C@H]3CCN(Cc4cccs4)C3)o2)cc1.
What is the InChIKey of 2-benzyl-5-[(3S)-1-(thiophen-2-ylmethyl)pyrrolidin-3-yl]-1,3,4-oxadiazole?
The InChIKey is HAMHHZQGYJAUHC-HNNXBMFYSA-N. The full InChI is InChI=1S/C18H19N3OS/c1-2-5-14(6-3-1)11-17-19-20-18(22-17)15-8-9-21(12-15)13-16-7-4-10-23-16/h1-7,10,15H,8-9,11-13H2/t15-/m0/s1.
What are the key properties of 2-benzyl-5-[(3S)-1-(thiophen-2-ylmethyl)pyrrolidin-3-yl]-1,3,4-oxadiazole?
2-benzyl-5-[(3S)-1-(thiophen-2-ylmethyl)pyrrolidin-3-yl]-1,3,4-oxadiazole has a molecular weight of 325.44 g/mol, XLogP of 3.71, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-5-[(3S)-1-(thiophen-2-ylmethyl)pyrrolidin-3-yl]-1,3,4-oxadiazole is sourced from PubChem (CID 51137403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).