2-indol-1-yl-1-[(2S)-2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]ethanone

C19H22N4O2 — CID 95779588

IUPAC2-indol-1-yl-1-[(2S)-2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]ethanone
SMILESCC(C)c1nc([C@@H]2CCCN2C(=O)Cn2ccc3ccccc32)no1
InChIInChI=1S/C19H22N4O2/c1-13(2)19-20-18(21-25-19)16-8-5-10-23(16)17(24)12-22-11-9-14-6-3-4-7-15(14)22/h3-4,6-7,9,11,13,16H,5,8,10,12H2,1-2H3/t16-/m0/s1
InChIKeyLXBLRBYTEDIZLC-INIZCTEOSA-N
MW338.41 g/mol
LogP3.51
Rot. Bonds4

About 2-indol-1-yl-1-[(2S)-2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]ethanone

2-indol-1-yl-1-[(2S)-2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]ethanone (PubChem CID 95779588) has the molecular formula C19H22N4O2 and a molecular weight of 338.41 g/mol. Its IUPAC name is 2-indol-1-yl-1-[(2S)-2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]ethanone.

Molecular Properties

Compound Name2-indol-1-yl-1-[(2S)-2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]ethanone
PubChem CID95779588
Molecular FormulaC19H22N4O2
Molecular Weight338.41 g/mol
Exact Mass338.17
IUPAC Name2-indol-1-yl-1-[(2S)-2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]ethanone
SMILESCC(C)c1nc([C@@H]2CCCN2C(=O)Cn2ccc3ccccc32)no1
InChIInChI=1S/C19H22N4O2/c1-13(2)19-20-18(21-25-19)16-8-5-10-23(16)17(24)12-22-11-9-14-6-3-4-7-15(14)22/h3-4,6-7,9,11,13,16H,5,8,10,12H2,1-2H3/t16-/m0/s1
InChIKeyLXBLRBYTEDIZLC-INIZCTEOSA-N
XLogP3.51
TPSA64.16 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.41
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-[(2S)-2-(5-ethyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]-3-indol-1-ylpropan-1-one
CID 95779494
2-(1H-indol-3-yl)-1-[(2R)-2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]ethanone
CID 95779559
2-(2,3-dihydro-1H-inden-5-yl)-1-[(2S)-2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]ethanone
CID 95779584
3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)-1-[2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]propan-1-one
CID 136511978
2-[(2S)-1-acetylpiperidin-2-yl]-1-[(2S)-2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]ethanone
CID 95779546
2-[2-oxo-2-[(2S)-2-(5-propan-2-yl-1,2-oxazol-3-yl)pyrrolidin-1-yl]ethyl]isoquinolin-1-one
CID 97276536
2-(4-acetyltriazol-1-yl)-1-[2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)azepan-1-yl]ethanone
CID 136546047
[(2R)-2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)azepan-1-yl]-pyridin-2-ylmethanone
CID 97345487
1-[(2S)-2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]-3-(1,2,4-triazol-1-yl)propan-1-one
CID 95779586
(3-cyclopropylimidazo[1,5-a]pyridin-1-yl)-[(2S)-2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)azepan-1-yl]methanone
CID 164628420
3-piperidin-4-yl-1-[2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]butan-1-one;hydrochloride
CID 119767317
1-cyclopropyl-5-[2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)azepan-1-yl]pentane-1,5-dione
CID 166235513

Frequently Asked Questions

What is the IUPAC name of 2-indol-1-yl-1-[(2S)-2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]ethanone?
The IUPAC name of 2-indol-1-yl-1-[(2S)-2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]ethanone (CID 95779588) is 2-indol-1-yl-1-[(2S)-2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]ethanone.
What is the SMILES notation for 2-indol-1-yl-1-[(2S)-2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]ethanone?
The canonical SMILES for 2-indol-1-yl-1-[(2S)-2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]ethanone is CC(C)c1nc([C@@H]2CCCN2C(=O)Cn2ccc3ccccc32)no1.
What is the InChIKey of 2-indol-1-yl-1-[(2S)-2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]ethanone?
The InChIKey is LXBLRBYTEDIZLC-INIZCTEOSA-N. The full InChI is InChI=1S/C19H22N4O2/c1-13(2)19-20-18(21-25-19)16-8-5-10-23(16)17(24)12-22-11-9-14-6-3-4-7-15(14)22/h3-4,6-7,9,11,13,16H,5,8,10,12H2,1-2H3/t16-/m0/s1.
What are the key properties of 2-indol-1-yl-1-[(2S)-2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]ethanone?
2-indol-1-yl-1-[(2S)-2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]ethanone has a molecular weight of 338.41 g/mol, XLogP of 3.51, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-indol-1-yl-1-[(2S)-2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]ethanone is sourced from PubChem (CID 95779588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).