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

C19H24N4O2 — CID 70761402

IUPAC2-(2,3-dihydroindol-1-yl)-1-[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]ethanone
SMILESCC(C)c1noc(C2CCCN2C(=O)CN2CCc3ccccc32)n1
InChIInChI=1S/C19H24N4O2/c1-13(2)18-20-19(25-21-18)16-8-5-10-23(16)17(24)12-22-11-9-14-6-3-4-7-15(14)22/h3-4,6-7,13,16H,5,8-12H2,1-2H3
InChIKeyBGAJIXRNCMIMHF-UHFFFAOYSA-N
MW340.43 g/mol
LogP2.92
Rot. Bonds4

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

2-(2,3-dihydroindol-1-yl)-1-[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]ethanone (PubChem CID 70761402) has the molecular formula C19H24N4O2 and a molecular weight of 340.43 g/mol. Its IUPAC name is 2-(2,3-dihydroindol-1-yl)-1-[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]ethanone.

Molecular Properties

Compound Name2-(2,3-dihydroindol-1-yl)-1-[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]ethanone
PubChem CID70761402
Molecular FormulaC19H24N4O2
Molecular Weight340.43 g/mol
Exact Mass340.19
IUPAC Name2-(2,3-dihydroindol-1-yl)-1-[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]ethanone
SMILESCC(C)c1noc(C2CCCN2C(=O)CN2CCc3ccccc32)n1
InChIInChI=1S/C19H24N4O2/c1-13(2)18-20-19(25-21-18)16-8-5-10-23(16)17(24)12-22-11-9-14-6-3-4-7-15(14)22/h3-4,6-7,13,16H,5,8-12H2,1-2H3
InChIKeyBGAJIXRNCMIMHF-UHFFFAOYSA-N
XLogP2.92
TPSA62.47 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.43
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dihydroindol-1-yl)-1-[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]ethanone?
The IUPAC name of 2-(2,3-dihydroindol-1-yl)-1-[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]ethanone (CID 70761402) is 2-(2,3-dihydroindol-1-yl)-1-[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]ethanone.
What is the SMILES notation for 2-(2,3-dihydroindol-1-yl)-1-[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]ethanone?
The canonical SMILES for 2-(2,3-dihydroindol-1-yl)-1-[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]ethanone is CC(C)c1noc(C2CCCN2C(=O)CN2CCc3ccccc32)n1.
What is the InChIKey of 2-(2,3-dihydroindol-1-yl)-1-[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]ethanone?
The InChIKey is BGAJIXRNCMIMHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O2/c1-13(2)18-20-19(25-21-18)16-8-5-10-23(16)17(24)12-22-11-9-14-6-3-4-7-15(14)22/h3-4,6-7,13,16H,5,8-12H2,1-2H3.
What are the key properties of 2-(2,3-dihydroindol-1-yl)-1-[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]ethanone?
2-(2,3-dihydroindol-1-yl)-1-[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]ethanone has a molecular weight of 340.43 g/mol, XLogP of 2.92, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dihydroindol-1-yl)-1-[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]ethanone is sourced from PubChem (CID 70761402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).