3-methyl-5-[(1R)-1-[(2R)-2-thiophen-2-ylpyrrolidin-1-yl]ethyl]-1,2,4-oxadiazole

C13H17N3OS — CID 95160338

IUPAC3-methyl-5-[(1R)-1-[(2R)-2-thiophen-2-ylpyrrolidin-1-yl]ethyl]-1,2,4-oxadiazole
SMILESCc1noc([C@@H](C)N2CCC[C@@H]2c2cccs2)n1
InChIInChI=1S/C13H17N3OS/c1-9(13-14-10(2)15-17-13)16-7-3-5-11(16)12-6-4-8-18-12/h4,6,8-9,11H,3,5,7H2,1-2H3/t9-,11-/m1/s1
InChIKeyRYWJVZGCNYKZCX-MWLCHTKSSA-N
MW263.37 g/mol
LogP3.34
Rot. Bonds3

About 3-methyl-5-[(1R)-1-[(2R)-2-thiophen-2-ylpyrrolidin-1-yl]ethyl]-1,2,4-oxadiazole

3-methyl-5-[(1R)-1-[(2R)-2-thiophen-2-ylpyrrolidin-1-yl]ethyl]-1,2,4-oxadiazole (PubChem CID 95160338) has the molecular formula C13H17N3OS and a molecular weight of 263.37 g/mol. Its IUPAC name is 3-methyl-5-[(1R)-1-[(2R)-2-thiophen-2-ylpyrrolidin-1-yl]ethyl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-methyl-5-[(1R)-1-[(2R)-2-thiophen-2-ylpyrrolidin-1-yl]ethyl]-1,2,4-oxadiazole
PubChem CID95160338
Molecular FormulaC13H17N3OS
Molecular Weight263.37 g/mol
Exact Mass263.11
IUPAC Name3-methyl-5-[(1R)-1-[(2R)-2-thiophen-2-ylpyrrolidin-1-yl]ethyl]-1,2,4-oxadiazole
SMILESCc1noc([C@@H](C)N2CCC[C@@H]2c2cccs2)n1
InChIInChI=1S/C13H17N3OS/c1-9(13-14-10(2)15-17-13)16-7-3-5-11(16)12-6-4-8-18-12/h4,6,8-9,11H,3,5,7H2,1-2H3/t9-,11-/m1/s1
InChIKeyRYWJVZGCNYKZCX-MWLCHTKSSA-N
XLogP3.34
TPSA42.16 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.37
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 3-methyl-5-[(1R)-1-[(2R)-2-thiophen-2-ylpyrrolidin-1-yl]ethyl]-1,2,4-oxadiazole with MolForge

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Related Compounds

2-thiophen-2-yl-5-[(1R)-1-[(2S)-2-thiophen-2-ylpyrrolidin-1-yl]ethyl]-1,3,4-oxadiazole
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3-methyl-5-[2-[(2S)-2-thiophen-2-ylpyrrolidin-1-yl]-3-pyridinyl]-1,2,4-oxadiazole
CID 97217841
2-[1-(2-thiophen-2-ylpyrrolidin-1-yl)ethyl]-3H-quinazolin-4-one
CID 135687205
(2R)-N-pyrimidin-2-yl-2-[(2S)-2-thiophen-2-ylpyrrolidin-1-yl]propanamide
CID 124829882
3-methyl-5-[(1S)-1-[4-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]piperazin-1-yl]ethyl]-1,2,4-oxadiazole
CID 95280518
[4-[(1S)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]-thiophen-2-ylmethanone
CID 35197509
3-methyl-5-[(1S)-1-(4-propan-2-ylpiperazin-1-yl)ethyl]-1,2,4-oxadiazole
CID 95275038
3-methyl-5-[(1S)-1-[(2R)-2-(pyrazol-1-ylmethyl)piperidin-1-yl]ethyl]-1,2,4-oxadiazole
CID 95347728
1-(2-methylpropyl)-2-thiophen-2-ylpyrrolidine
CID 102544356
5-[(1S)-1-[(2S)-2-[(3,5-dimethylpyrazol-1-yl)methyl]pyrrolidin-1-yl]ethyl]-3-methyl-1,2,4-oxadiazole
CID 95350614
(2S)-N-phenyl-2-[(2S)-2-thiophen-2-ylpyrrolidin-1-yl]propanamide
CID 9446105
3-(3-fluoro-4-methylphenyl)-5-[(1R)-1-[(2R)-2-thiophen-3-ylpyrrolidin-1-yl]ethyl]-1,2,4-oxadiazole
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Frequently Asked Questions

What is the IUPAC name of 3-methyl-5-[(1R)-1-[(2R)-2-thiophen-2-ylpyrrolidin-1-yl]ethyl]-1,2,4-oxadiazole?
The IUPAC name of 3-methyl-5-[(1R)-1-[(2R)-2-thiophen-2-ylpyrrolidin-1-yl]ethyl]-1,2,4-oxadiazole (CID 95160338) is 3-methyl-5-[(1R)-1-[(2R)-2-thiophen-2-ylpyrrolidin-1-yl]ethyl]-1,2,4-oxadiazole.
What is the SMILES notation for 3-methyl-5-[(1R)-1-[(2R)-2-thiophen-2-ylpyrrolidin-1-yl]ethyl]-1,2,4-oxadiazole?
The canonical SMILES for 3-methyl-5-[(1R)-1-[(2R)-2-thiophen-2-ylpyrrolidin-1-yl]ethyl]-1,2,4-oxadiazole is Cc1noc([C@@H](C)N2CCC[C@@H]2c2cccs2)n1.
What is the InChIKey of 3-methyl-5-[(1R)-1-[(2R)-2-thiophen-2-ylpyrrolidin-1-yl]ethyl]-1,2,4-oxadiazole?
The InChIKey is RYWJVZGCNYKZCX-MWLCHTKSSA-N. The full InChI is InChI=1S/C13H17N3OS/c1-9(13-14-10(2)15-17-13)16-7-3-5-11(16)12-6-4-8-18-12/h4,6,8-9,11H,3,5,7H2,1-2H3/t9-,11-/m1/s1.
What are the key properties of 3-methyl-5-[(1R)-1-[(2R)-2-thiophen-2-ylpyrrolidin-1-yl]ethyl]-1,2,4-oxadiazole?
3-methyl-5-[(1R)-1-[(2R)-2-thiophen-2-ylpyrrolidin-1-yl]ethyl]-1,2,4-oxadiazole has a molecular weight of 263.37 g/mol, XLogP of 3.34, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-[(1R)-1-[(2R)-2-thiophen-2-ylpyrrolidin-1-yl]ethyl]-1,2,4-oxadiazole is sourced from PubChem (CID 95160338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).