[(2S)-2-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]-pyrazin-2-ylmethanone

C18H17N5O2 — CID 95116507

IUPAC[(2S)-2-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]-pyrazin-2-ylmethanone
SMILESCc1cccc(-c2noc([C@@H]3CCCN3C(=O)c3cnccn3)n2)c1
InChIInChI=1S/C18H17N5O2/c1-12-4-2-5-13(10-12)16-21-17(25-22-16)15-6-3-9-23(15)18(24)14-11-19-7-8-20-14/h2,4-5,7-8,10-11,15H,3,6,9H2,1H3/t15-/m0/s1
InChIKeyYGABEIMQJUWLAN-HNNXBMFYSA-N
MW335.37 g/mol
LogP2.81
Rot. Bonds3

About [(2S)-2-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]-pyrazin-2-ylmethanone

[(2S)-2-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]-pyrazin-2-ylmethanone (PubChem CID 95116507) has the molecular formula C18H17N5O2 and a molecular weight of 335.37 g/mol. Its IUPAC name is [(2S)-2-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]-pyrazin-2-ylmethanone.

Molecular Properties

Compound Name[(2S)-2-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]-pyrazin-2-ylmethanone
PubChem CID95116507
Molecular FormulaC18H17N5O2
Molecular Weight335.37 g/mol
Exact Mass335.14
IUPAC Name[(2S)-2-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]-pyrazin-2-ylmethanone
SMILESCc1cccc(-c2noc([C@@H]3CCCN3C(=O)c3cnccn3)n2)c1
InChIInChI=1S/C18H17N5O2/c1-12-4-2-5-13(10-12)16-21-17(25-22-16)15-6-3-9-23(15)18(24)14-11-19-7-8-20-14/h2,4-5,7-8,10-11,15H,3,6,9H2,1H3/t15-/m0/s1
InChIKeyYGABEIMQJUWLAN-HNNXBMFYSA-N
XLogP2.81
TPSA85.01 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.37
LogP ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze [(2S)-2-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]-pyrazin-2-ylmethanone with MolForge

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Related Compounds

pyrazin-2-yl-[2-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone
CID 53192003
(2-chloro-3-pyridinyl)-[(2S)-2-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]methanone
CID 95116517
cyclopentyl-[(2S)-2-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone
CID 812405
2-methyl-1-[2-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]propan-1-one
CID 42765155
(2-bromophenyl)-[2-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]methanone
CID 42765191
(2S)-N-cyclopentyl-2-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidine-1-carboxamide
CID 95116675
(5-chloro-2-fluorophenyl)-[2-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]methanone
CID 53206131
N-[3-[(2R)-2-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidine-1-carbonyl]phenyl]acetamide
CID 95116514
[(2S)-2-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]-pyrazin-2-ylmethanone
CID 95057584
(2,6-dimethoxyphenyl)-[2-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone
CID 4566274
[(2S)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]-pyridin-2-ylmethanone
CID 91906389
1-[2-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]propan-1-one
CID 42760304

Frequently Asked Questions

What is the IUPAC name of [(2S)-2-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]-pyrazin-2-ylmethanone?
The IUPAC name of [(2S)-2-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]-pyrazin-2-ylmethanone (CID 95116507) is [(2S)-2-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]-pyrazin-2-ylmethanone.
What is the SMILES notation for [(2S)-2-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]-pyrazin-2-ylmethanone?
The canonical SMILES for [(2S)-2-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]-pyrazin-2-ylmethanone is Cc1cccc(-c2noc([C@@H]3CCCN3C(=O)c3cnccn3)n2)c1.
What is the InChIKey of [(2S)-2-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]-pyrazin-2-ylmethanone?
The InChIKey is YGABEIMQJUWLAN-HNNXBMFYSA-N. The full InChI is InChI=1S/C18H17N5O2/c1-12-4-2-5-13(10-12)16-21-17(25-22-16)15-6-3-9-23(15)18(24)14-11-19-7-8-20-14/h2,4-5,7-8,10-11,15H,3,6,9H2,1H3/t15-/m0/s1.
What are the key properties of [(2S)-2-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]-pyrazin-2-ylmethanone?
[(2S)-2-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]-pyrazin-2-ylmethanone has a molecular weight of 335.37 g/mol, XLogP of 2.81, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-2-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]-pyrazin-2-ylmethanone is sourced from PubChem (CID 95116507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).