5-[(2S)-1-benzylpyrrolidin-2-yl]-3-pyrazin-2-yl-1,2,4-oxadiazole

C17H17N5O — CID 97071015

IUPAC5-[(2S)-1-benzylpyrrolidin-2-yl]-3-pyrazin-2-yl-1,2,4-oxadiazole
SMILESc1ccc(CN2CCC[C@H]2c2nc(-c3cnccn3)no2)cc1
InChIInChI=1S/C17H17N5O/c1-2-5-13(6-3-1)12-22-10-4-7-15(22)17-20-16(21-23-17)14-11-18-8-9-19-14/h1-3,5-6,8-9,11,15H,4,7,10,12H2/t15-/m0/s1
InChIKeyWCUNQKLIMLRCCL-HNNXBMFYSA-N
MW307.36 g/mol
LogP2.86
Rot. Bonds4

About 5-[(2S)-1-benzylpyrrolidin-2-yl]-3-pyrazin-2-yl-1,2,4-oxadiazole

5-[(2S)-1-benzylpyrrolidin-2-yl]-3-pyrazin-2-yl-1,2,4-oxadiazole (PubChem CID 97071015) has the molecular formula C17H17N5O and a molecular weight of 307.36 g/mol. Its IUPAC name is 5-[(2S)-1-benzylpyrrolidin-2-yl]-3-pyrazin-2-yl-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-[(2S)-1-benzylpyrrolidin-2-yl]-3-pyrazin-2-yl-1,2,4-oxadiazole
PubChem CID97071015
Molecular FormulaC17H17N5O
Molecular Weight307.36 g/mol
Exact Mass307.14
IUPAC Name5-[(2S)-1-benzylpyrrolidin-2-yl]-3-pyrazin-2-yl-1,2,4-oxadiazole
SMILESc1ccc(CN2CCC[C@H]2c2nc(-c3cnccn3)no2)cc1
InChIInChI=1S/C17H17N5O/c1-2-5-13(6-3-1)12-22-10-4-7-15(22)17-20-16(21-23-17)14-11-18-8-9-19-14/h1-3,5-6,8-9,11,15H,4,7,10,12H2/t15-/m0/s1
InChIKeyWCUNQKLIMLRCCL-HNNXBMFYSA-N
XLogP2.86
TPSA67.94 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.36
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

5-[(2R)-1-benzylpyrrolidin-2-yl]-3-pyridin-4-yl-1,2,4-oxadiazole
CID 95147378
5-(1-benzylpyrrolidin-2-yl)-3-(5-fluoro-2-pyridinyl)-1,2,4-oxadiazole
CID 75614917
5-(1-benzylpiperidin-2-yl)-3-pyridin-4-yl-1,2,4-oxadiazole
CID 53191859
[4-[5-(1-benzylpyrrolidin-2-yl)-1,2,4-oxadiazol-3-yl]phenyl]methanamine
CID 120892545
2-[3-[[(2S)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methyl]phenoxy]ethanol
CID 95719382
[(2R)-2-(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-pyridin-4-ylmethanone
CID 95110744
5-[(2S)-1-[[2-(furan-2-yl)pyrimidin-5-yl]methyl]pyrrolidin-2-yl]-3-phenyl-1,2,4-oxadiazole
CID 95712932
5-[1-[(3-cyclohexylimidazol-4-yl)methyl]pyrrolidin-2-yl]-3-pyridin-2-yl-1,2,4-oxadiazole
CID 70781832
6-[5-(1-benzylpyrrolidin-2-yl)-1,2,4-oxadiazol-3-yl]-1H-pyridin-2-one
CID 126834888
5-[(2R)-1-(1H-imidazol-2-ylmethyl)pyrrolidin-2-yl]-3-pyridin-2-yl-1,2,4-oxadiazole
CID 95230095
5-[[(2R)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methyl]-N-propylpyrimidin-2-amine
CID 95722957
5-(1-benzylpyrrolidin-2-yl)-3-(6-cyclohexyloxy-3-pyridinyl)-1,2,4-oxadiazole
CID 75131269

Frequently Asked Questions

What is the IUPAC name of 5-[(2S)-1-benzylpyrrolidin-2-yl]-3-pyrazin-2-yl-1,2,4-oxadiazole?
The IUPAC name of 5-[(2S)-1-benzylpyrrolidin-2-yl]-3-pyrazin-2-yl-1,2,4-oxadiazole (CID 97071015) is 5-[(2S)-1-benzylpyrrolidin-2-yl]-3-pyrazin-2-yl-1,2,4-oxadiazole.
What is the SMILES notation for 5-[(2S)-1-benzylpyrrolidin-2-yl]-3-pyrazin-2-yl-1,2,4-oxadiazole?
The canonical SMILES for 5-[(2S)-1-benzylpyrrolidin-2-yl]-3-pyrazin-2-yl-1,2,4-oxadiazole is c1ccc(CN2CCC[C@H]2c2nc(-c3cnccn3)no2)cc1.
What is the InChIKey of 5-[(2S)-1-benzylpyrrolidin-2-yl]-3-pyrazin-2-yl-1,2,4-oxadiazole?
The InChIKey is WCUNQKLIMLRCCL-HNNXBMFYSA-N. The full InChI is InChI=1S/C17H17N5O/c1-2-5-13(6-3-1)12-22-10-4-7-15(22)17-20-16(21-23-17)14-11-18-8-9-19-14/h1-3,5-6,8-9,11,15H,4,7,10,12H2/t15-/m0/s1.
What are the key properties of 5-[(2S)-1-benzylpyrrolidin-2-yl]-3-pyrazin-2-yl-1,2,4-oxadiazole?
5-[(2S)-1-benzylpyrrolidin-2-yl]-3-pyrazin-2-yl-1,2,4-oxadiazole has a molecular weight of 307.36 g/mol, XLogP of 2.86, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2S)-1-benzylpyrrolidin-2-yl]-3-pyrazin-2-yl-1,2,4-oxadiazole is sourced from PubChem (CID 97071015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).