[(2R)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]-quinoxalin-6-ylmethanone

C21H17N5O2 — CID 96575674

IUPAC[(2R)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]-quinoxalin-6-ylmethanone
SMILESO=C(c1ccc2nccnc2c1)N1CCC[C@@H]1c1nc(-c2ccccc2)no1
InChIInChI=1S/C21H17N5O2/c27-21(15-8-9-16-17(13-15)23-11-10-22-16)26-12-4-7-18(26)20-24-19(25-28-20)14-5-2-1-3-6-14/h1-3,5-6,8-11,13,18H,4,7,12H2/t18-/m1/s1
InChIKeyWIWNERMQMRUISE-GOSISDBHSA-N
MW371.40 g/mol
LogP3.66
Rot. Bonds3

About [(2R)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]-quinoxalin-6-ylmethanone

[(2R)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]-quinoxalin-6-ylmethanone (PubChem CID 96575674) has the molecular formula C21H17N5O2 and a molecular weight of 371.40 g/mol. Its IUPAC name is [(2R)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]-quinoxalin-6-ylmethanone.

Molecular Properties

Compound Name[(2R)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]-quinoxalin-6-ylmethanone
PubChem CID96575674
Molecular FormulaC21H17N5O2
Molecular Weight371.40 g/mol
Exact Mass371.14
IUPAC Name[(2R)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]-quinoxalin-6-ylmethanone
SMILESO=C(c1ccc2nccnc2c1)N1CCC[C@@H]1c1nc(-c2ccccc2)no1
InChIInChI=1S/C21H17N5O2/c27-21(15-8-9-16-17(13-15)23-11-10-22-16)26-12-4-7-18(26)20-24-19(25-28-20)14-5-2-1-3-6-14/h1-3,5-6,8-11,13,18H,4,7,12H2/t18-/m1/s1
InChIKeyWIWNERMQMRUISE-GOSISDBHSA-N
XLogP3.66
TPSA85.01 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.40
LogP ≤ 53.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

(3-chlorophenyl)-[(2R)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methanone
CID 7225630
(3,4-dimethylphenyl)-[(2R)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methanone
CID 125127342
[2-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]-pyridin-4-ylmethanone
CID 91888691
(4-fluorophenyl)-[(2R)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methanone
CID 813072
(3-chlorophenyl)-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone
CID 42760612
[(2S)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]-pyridin-2-ylmethanone
CID 91906389
(4-methoxyphenyl)-[(2S)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methanone
CID 813074
(3-nitrophenyl)-[(2R)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methanone
CID 7415815
(4-ethylphenyl)-[(2S)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methanone
CID 813101
(4-chloro-3-nitrophenyl)-[(2S)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methanone
CID 7295782
[2-[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]-naphthalen-2-ylmethanone
CID 3466347
[(2R)-2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]-phenylmethanone
CID 813034

Frequently Asked Questions

What is the IUPAC name of [(2R)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]-quinoxalin-6-ylmethanone?
The IUPAC name of [(2R)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]-quinoxalin-6-ylmethanone (CID 96575674) is [(2R)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]-quinoxalin-6-ylmethanone.
What is the SMILES notation for [(2R)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]-quinoxalin-6-ylmethanone?
The canonical SMILES for [(2R)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]-quinoxalin-6-ylmethanone is O=C(c1ccc2nccnc2c1)N1CCC[C@@H]1c1nc(-c2ccccc2)no1.
What is the InChIKey of [(2R)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]-quinoxalin-6-ylmethanone?
The InChIKey is WIWNERMQMRUISE-GOSISDBHSA-N. The full InChI is InChI=1S/C21H17N5O2/c27-21(15-8-9-16-17(13-15)23-11-10-22-16)26-12-4-7-18(26)20-24-19(25-28-20)14-5-2-1-3-6-14/h1-3,5-6,8-11,13,18H,4,7,12H2/t18-/m1/s1.
What are the key properties of [(2R)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]-quinoxalin-6-ylmethanone?
[(2R)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]-quinoxalin-6-ylmethanone has a molecular weight of 371.40 g/mol, XLogP of 3.66, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]-quinoxalin-6-ylmethanone is sourced from PubChem (CID 96575674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).