2-[[3-[1-(2-pyrrolidin-1-ylethyl)indol-4-yl]phenyl]methyl]-1,3,4-oxadiazole

C23H24N4O — CID 167969080

IUPAC2-[[3-[1-(2-pyrrolidin-1-ylethyl)indol-4-yl]phenyl]methyl]-1,3,4-oxadiazole
SMILESc1cc(Cc2nnco2)cc(-c2cccc3c2ccn3CCN2CCCC2)c1
InChIInChI=1S/C23H24N4O/c1-2-11-26(10-1)13-14-27-12-9-21-20(7-4-8-22(21)27)19-6-3-5-18(15-19)16-23-25-24-17-28-23/h3-9,12,15,17H,1-2,10-11,13-14,16H2
InChIKeyJFFXCJSOETZKRZ-UHFFFAOYSA-N
MW372.47 g/mol
LogP4.38
Rot. Bonds6

About 2-[[3-[1-(2-pyrrolidin-1-ylethyl)indol-4-yl]phenyl]methyl]-1,3,4-oxadiazole

2-[[3-[1-(2-pyrrolidin-1-ylethyl)indol-4-yl]phenyl]methyl]-1,3,4-oxadiazole (PubChem CID 167969080) has the molecular formula C23H24N4O and a molecular weight of 372.47 g/mol. Its IUPAC name is 2-[[3-[1-(2-pyrrolidin-1-ylethyl)indol-4-yl]phenyl]methyl]-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-[[3-[1-(2-pyrrolidin-1-ylethyl)indol-4-yl]phenyl]methyl]-1,3,4-oxadiazole
PubChem CID167969080
Molecular FormulaC23H24N4O
Molecular Weight372.47 g/mol
Exact Mass372.20
IUPAC Name2-[[3-[1-(2-pyrrolidin-1-ylethyl)indol-4-yl]phenyl]methyl]-1,3,4-oxadiazole
SMILESc1cc(Cc2nnco2)cc(-c2cccc3c2ccn3CCN2CCCC2)c1
InChIInChI=1S/C23H24N4O/c1-2-11-26(10-1)13-14-27-12-9-21-20(7-4-8-22(21)27)19-6-3-5-18(15-19)16-23-25-24-17-28-23/h3-9,12,15,17H,1-2,10-11,13-14,16H2
InChIKeyJFFXCJSOETZKRZ-UHFFFAOYSA-N
XLogP4.38
TPSA47.09 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.47
LogP ≤ 54.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-[[3-[1-(2-pyrrolidin-1-ylethyl)indol-4-yl]phenyl]methyl]-1,3,4-oxadiazole with MolForge

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Related Compounds

4-(furan-2-yl)-1-(2-pyrrolidin-1-ylethyl)indole
CID 167921071
4-(4-chloro-3-fluorophenyl)-1-(2-pyrrolidin-1-ylethyl)indole
CID 167975019
6-[1-(2-pyrrolidin-1-ylethyl)indol-4-yl]isoquinoline
CID 167945178
1-(2-pyrrolidin-1-ylethyl)indole-4-carboxylic acid
CID 43316574
4-ethoxy-1-(2-pyrrolidin-1-ylethyl)indole
CID 83173234
4-propan-2-yloxy-1-(2-pyrrolidin-1-ylethyl)indole
CID 83162517
1-(2-piperidin-1-ylethyl)quinolin-4-one
CID 141163131
4-fluoro-1-(3-pyrrolidin-1-ylpropyl)indole
CID 82792591
6-chloro-1-(2-pyrrolidin-1-ylethyl)indole
CID 116620684
4-[3-[3-(2-chlorophenyl)phenyl]propyl]morpholine
CID 170869982
N-[1-(2-pyrrolidin-1-ylethyl)indol-6-yl]naphthalene-1-sulfonamide
CID 11362134
4-[3-(4-methylindol-1-yl)propyl]morpholine
CID 58748400

Frequently Asked Questions

What is the IUPAC name of 2-[[3-[1-(2-pyrrolidin-1-ylethyl)indol-4-yl]phenyl]methyl]-1,3,4-oxadiazole?
The IUPAC name of 2-[[3-[1-(2-pyrrolidin-1-ylethyl)indol-4-yl]phenyl]methyl]-1,3,4-oxadiazole (CID 167969080) is 2-[[3-[1-(2-pyrrolidin-1-ylethyl)indol-4-yl]phenyl]methyl]-1,3,4-oxadiazole.
What is the SMILES notation for 2-[[3-[1-(2-pyrrolidin-1-ylethyl)indol-4-yl]phenyl]methyl]-1,3,4-oxadiazole?
The canonical SMILES for 2-[[3-[1-(2-pyrrolidin-1-ylethyl)indol-4-yl]phenyl]methyl]-1,3,4-oxadiazole is c1cc(Cc2nnco2)cc(-c2cccc3c2ccn3CCN2CCCC2)c1.
What is the InChIKey of 2-[[3-[1-(2-pyrrolidin-1-ylethyl)indol-4-yl]phenyl]methyl]-1,3,4-oxadiazole?
The InChIKey is JFFXCJSOETZKRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N4O/c1-2-11-26(10-1)13-14-27-12-9-21-20(7-4-8-22(21)27)19-6-3-5-18(15-19)16-23-25-24-17-28-23/h3-9,12,15,17H,1-2,10-11,13-14,16H2.
What are the key properties of 2-[[3-[1-(2-pyrrolidin-1-ylethyl)indol-4-yl]phenyl]methyl]-1,3,4-oxadiazole?
2-[[3-[1-(2-pyrrolidin-1-ylethyl)indol-4-yl]phenyl]methyl]-1,3,4-oxadiazole has a molecular weight of 372.47 g/mol, XLogP of 4.38, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-[1-(2-pyrrolidin-1-ylethyl)indol-4-yl]phenyl]methyl]-1,3,4-oxadiazole is sourced from PubChem (CID 167969080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).