5-[(2S)-1-(3-methoxypyrazin-2-yl)pyrrolidin-2-yl]-3-propan-2-yl-1,2,4-oxadiazole

C14H19N5O2 — CID 134701097

IUPAC5-[(2S)-1-(3-methoxypyrazin-2-yl)pyrrolidin-2-yl]-3-propan-2-yl-1,2,4-oxadiazole
SMILESCOc1nccnc1N1CCC[C@H]1c1nc(C(C)C)no1
InChIInChI=1S/C14H19N5O2/c1-9(2)11-17-13(21-18-11)10-5-4-8-19(10)12-14(20-3)16-7-6-15-12/h6-7,9-10H,4-5,8H2,1-3H3/t10-/m0/s1
InChIKeyGQKRRZFBKKQSJB-JTQLQIEISA-N
MW289.34 g/mol
LogP2.33
Rot. Bonds4

About 5-[(2S)-1-(3-methoxypyrazin-2-yl)pyrrolidin-2-yl]-3-propan-2-yl-1,2,4-oxadiazole

5-[(2S)-1-(3-methoxypyrazin-2-yl)pyrrolidin-2-yl]-3-propan-2-yl-1,2,4-oxadiazole (PubChem CID 134701097) has the molecular formula C14H19N5O2 and a molecular weight of 289.34 g/mol. Its IUPAC name is 5-[(2S)-1-(3-methoxypyrazin-2-yl)pyrrolidin-2-yl]-3-propan-2-yl-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-[(2S)-1-(3-methoxypyrazin-2-yl)pyrrolidin-2-yl]-3-propan-2-yl-1,2,4-oxadiazole
PubChem CID134701097
Molecular FormulaC14H19N5O2
Molecular Weight289.34 g/mol
Exact Mass289.15
IUPAC Name5-[(2S)-1-(3-methoxypyrazin-2-yl)pyrrolidin-2-yl]-3-propan-2-yl-1,2,4-oxadiazole
SMILESCOc1nccnc1N1CCC[C@H]1c1nc(C(C)C)no1
InChIInChI=1S/C14H19N5O2/c1-9(2)11-17-13(21-18-11)10-5-4-8-19(10)12-14(20-3)16-7-6-15-12/h6-7,9-10H,4-5,8H2,1-3H3/t10-/m0/s1
InChIKeyGQKRRZFBKKQSJB-JTQLQIEISA-N
XLogP2.33
TPSA77.17 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.34
LogP ≤ 52.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

6-[(2S)-2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]pyridine-2-carbonitrile
CID 134700083
5-phenyl-3-[(2S)-2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]-1,2,4-oxadiazole
CID 134707242
(2,6-dimethoxypyrimidin-4-yl)-[(2S)-2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methanone
CID 95200637
3-propan-2-yl-5-[1-(pyridin-2-ylmethyl)pyrrolidin-2-yl]-1,2,4-oxadiazole
CID 53204191
3-propan-2-yl-5-[(2S)-1-(pyridin-2-ylmethyl)pyrrolidin-2-yl]-1,2,4-oxadiazole
CID 91653847
N-cyclopentyl-2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidine-1-carboxamide
CID 70772545
(2-methoxy-3-pyridinyl)-[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)azetidin-1-yl]methanone
CID 121098437
5-[1-(1,4-dithiepan-6-yl)pyrrolidin-2-yl]-3-propan-2-yl-1,2,4-oxadiazole
CID 56708926
(2R)-2-(3-methoxyphenoxy)-1-[(2S)-2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]propan-1-one
CID 28980455
1,3-dimethyl-4-[(2S)-2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]pyrazolo[3,4-b]pyridine-5-carboxylic acid
CID 134699513
1-[4-[(2R)-2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]piperidin-1-yl]ethanone
CID 95128370
5-[2-[2-(3-methoxyphenyl)pyrrolidin-1-yl]-4-pyridinyl]-3-propan-2-yl-1,2,4-oxadiazole
CID 133333521

Frequently Asked Questions

What is the IUPAC name of 5-[(2S)-1-(3-methoxypyrazin-2-yl)pyrrolidin-2-yl]-3-propan-2-yl-1,2,4-oxadiazole?
The IUPAC name of 5-[(2S)-1-(3-methoxypyrazin-2-yl)pyrrolidin-2-yl]-3-propan-2-yl-1,2,4-oxadiazole (CID 134701097) is 5-[(2S)-1-(3-methoxypyrazin-2-yl)pyrrolidin-2-yl]-3-propan-2-yl-1,2,4-oxadiazole.
What is the SMILES notation for 5-[(2S)-1-(3-methoxypyrazin-2-yl)pyrrolidin-2-yl]-3-propan-2-yl-1,2,4-oxadiazole?
The canonical SMILES for 5-[(2S)-1-(3-methoxypyrazin-2-yl)pyrrolidin-2-yl]-3-propan-2-yl-1,2,4-oxadiazole is COc1nccnc1N1CCC[C@H]1c1nc(C(C)C)no1.
What is the InChIKey of 5-[(2S)-1-(3-methoxypyrazin-2-yl)pyrrolidin-2-yl]-3-propan-2-yl-1,2,4-oxadiazole?
The InChIKey is GQKRRZFBKKQSJB-JTQLQIEISA-N. The full InChI is InChI=1S/C14H19N5O2/c1-9(2)11-17-13(21-18-11)10-5-4-8-19(10)12-14(20-3)16-7-6-15-12/h6-7,9-10H,4-5,8H2,1-3H3/t10-/m0/s1.
What are the key properties of 5-[(2S)-1-(3-methoxypyrazin-2-yl)pyrrolidin-2-yl]-3-propan-2-yl-1,2,4-oxadiazole?
5-[(2S)-1-(3-methoxypyrazin-2-yl)pyrrolidin-2-yl]-3-propan-2-yl-1,2,4-oxadiazole has a molecular weight of 289.34 g/mol, XLogP of 2.33, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2S)-1-(3-methoxypyrazin-2-yl)pyrrolidin-2-yl]-3-propan-2-yl-1,2,4-oxadiazole is sourced from PubChem (CID 134701097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).