4-pyrazol-1-yl-1-[(2S)-2-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]butan-1-one

C18H20N6O2 — CID 135116483

IUPAC4-pyrazol-1-yl-1-[(2S)-2-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]butan-1-one
SMILESO=C(CCCn1cccn1)N1CCC[C@H]1c1nc(-c2ccncc2)no1
InChIInChI=1S/C18H20N6O2/c25-16(5-2-11-23-12-3-8-20-23)24-13-1-4-15(24)18-21-17(22-26-18)14-6-9-19-10-7-14/h3,6-10,12,15H,1-2,4-5,11,13H2/t15-/m0/s1
InChIKeyUVZDFCGUTVPSKY-HNNXBMFYSA-N
MW352.40 g/mol
LogP2.47
Rot. Bonds6

About 4-pyrazol-1-yl-1-[(2S)-2-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]butan-1-one

4-pyrazol-1-yl-1-[(2S)-2-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]butan-1-one (PubChem CID 135116483) has the molecular formula C18H20N6O2 and a molecular weight of 352.40 g/mol. Its IUPAC name is 4-pyrazol-1-yl-1-[(2S)-2-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]butan-1-one.

Molecular Properties

Compound Name4-pyrazol-1-yl-1-[(2S)-2-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]butan-1-one
PubChem CID135116483
Molecular FormulaC18H20N6O2
Molecular Weight352.40 g/mol
Exact Mass352.16
IUPAC Name4-pyrazol-1-yl-1-[(2S)-2-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]butan-1-one
SMILESO=C(CCCn1cccn1)N1CCC[C@H]1c1nc(-c2ccncc2)no1
InChIInChI=1S/C18H20N6O2/c25-16(5-2-11-23-12-3-8-20-23)24-13-1-4-15(24)18-21-17(22-26-18)14-6-9-19-10-7-14/h3,6-10,12,15H,1-2,4-5,11,13H2/t15-/m0/s1
InChIKeyUVZDFCGUTVPSKY-HNNXBMFYSA-N
XLogP2.47
TPSA89.94 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.40
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

1-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]pentan-1-one
CID 4992104
1-[(2S)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]-3-(1,2,4-triazol-1-yl)propan-1-one
CID 96578803
1-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]-3-(1,2,4-triazol-1-yl)propan-1-one
CID 70764140
1-[2-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]-4-(1,2,4-triazol-1-yl)butan-1-one
CID 70728489
2-indazol-1-yl-1-[(2S)-2-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]ethanone
CID 29026030
2-(3,4-dihydro-1H-isoquinolin-2-yl)-1-[(2S)-2-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]ethanone
CID 131951057
1-[(2R)-2-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]hexan-1-one
CID 7236978
[2-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]-pyridin-4-ylmethanone
CID 91888691
3-(4-methyl-1,3-thiazol-5-yl)-1-[2-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]propan-1-one
CID 78082382
3-(4-methyl-1,3-thiazol-5-yl)-1-[(2S)-2-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]propan-1-one
CID 70756366
1-[2-[6-(3,5-dimethyl-1,2-oxazol-4-yl)pyrazin-2-yl]pyrrolidin-1-yl]-4-pyrazol-1-ylbutan-1-one
CID 110129510
1-[2-oxo-2-[(2R)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]ethyl]pyrimidin-2-one
CID 97118253

Frequently Asked Questions

What is the IUPAC name of 4-pyrazol-1-yl-1-[(2S)-2-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]butan-1-one?
The IUPAC name of 4-pyrazol-1-yl-1-[(2S)-2-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]butan-1-one (CID 135116483) is 4-pyrazol-1-yl-1-[(2S)-2-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]butan-1-one.
What is the SMILES notation for 4-pyrazol-1-yl-1-[(2S)-2-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]butan-1-one?
The canonical SMILES for 4-pyrazol-1-yl-1-[(2S)-2-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]butan-1-one is O=C(CCCn1cccn1)N1CCC[C@H]1c1nc(-c2ccncc2)no1.
What is the InChIKey of 4-pyrazol-1-yl-1-[(2S)-2-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]butan-1-one?
The InChIKey is UVZDFCGUTVPSKY-HNNXBMFYSA-N. The full InChI is InChI=1S/C18H20N6O2/c25-16(5-2-11-23-12-3-8-20-23)24-13-1-4-15(24)18-21-17(22-26-18)14-6-9-19-10-7-14/h3,6-10,12,15H,1-2,4-5,11,13H2/t15-/m0/s1.
What are the key properties of 4-pyrazol-1-yl-1-[(2S)-2-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]butan-1-one?
4-pyrazol-1-yl-1-[(2S)-2-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]butan-1-one has a molecular weight of 352.40 g/mol, XLogP of 2.47, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-pyrazol-1-yl-1-[(2S)-2-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]butan-1-one is sourced from PubChem (CID 135116483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).