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

C16H16N4O2 — CID 124761118

IUPAC2-indol-1-yl-1-[(3S)-3-(1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]ethanone
SMILESO=C(Cn1ccc2ccccc21)N1CC[C@H](c2ncon2)C1
InChIInChI=1S/C16H16N4O2/c21-15(10-19-7-5-12-3-1-2-4-14(12)19)20-8-6-13(9-20)16-17-11-22-18-16/h1-5,7,11,13H,6,8-10H2/t13-/m0/s1
InChIKeyVLTRKQOOQFBGMC-ZDUSSCGKSA-N
MW296.33 g/mol
LogP2.04
Rot. Bonds3

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

2-indol-1-yl-1-[(3S)-3-(1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]ethanone (PubChem CID 124761118) has the molecular formula C16H16N4O2 and a molecular weight of 296.33 g/mol. Its IUPAC name is 2-indol-1-yl-1-[(3S)-3-(1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]ethanone.

Molecular Properties

Compound Name2-indol-1-yl-1-[(3S)-3-(1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]ethanone
PubChem CID124761118
Molecular FormulaC16H16N4O2
Molecular Weight296.33 g/mol
Exact Mass296.13
IUPAC Name2-indol-1-yl-1-[(3S)-3-(1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]ethanone
SMILESO=C(Cn1ccc2ccccc21)N1CC[C@H](c2ncon2)C1
InChIInChI=1S/C16H16N4O2/c21-15(10-19-7-5-12-3-1-2-4-14(12)19)20-8-6-13(9-20)16-17-11-22-18-16/h1-5,7,11,13H,6,8-10H2/t13-/m0/s1
InChIKeyVLTRKQOOQFBGMC-ZDUSSCGKSA-N
XLogP2.04
TPSA64.16 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.33
LogP ≤ 52.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-indol-1-yl-1-[(3S)-3-(1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]ethanone?
The IUPAC name of 2-indol-1-yl-1-[(3S)-3-(1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]ethanone (CID 124761118) is 2-indol-1-yl-1-[(3S)-3-(1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]ethanone.
What is the SMILES notation for 2-indol-1-yl-1-[(3S)-3-(1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]ethanone?
The canonical SMILES for 2-indol-1-yl-1-[(3S)-3-(1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]ethanone is O=C(Cn1ccc2ccccc21)N1CC[C@H](c2ncon2)C1.
What is the InChIKey of 2-indol-1-yl-1-[(3S)-3-(1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]ethanone?
The InChIKey is VLTRKQOOQFBGMC-ZDUSSCGKSA-N. The full InChI is InChI=1S/C16H16N4O2/c21-15(10-19-7-5-12-3-1-2-4-14(12)19)20-8-6-13(9-20)16-17-11-22-18-16/h1-5,7,11,13H,6,8-10H2/t13-/m0/s1.
What are the key properties of 2-indol-1-yl-1-[(3S)-3-(1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]ethanone?
2-indol-1-yl-1-[(3S)-3-(1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]ethanone has a molecular weight of 296.33 g/mol, XLogP of 2.04, 3 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-[(3S)-3-(1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]ethanone is sourced from PubChem (CID 124761118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).