3-(1-decylindol-4-yl)-5-pyrrolidin-2-yl-1,2,4-oxadiazole

C24H34N4O — CID 121256577

IUPAC3-(1-decylindol-4-yl)-5-pyrrolidin-2-yl-1,2,4-oxadiazole
SMILESCCCCCCCCCCn1ccc2c(-c3noc(C4CCCN4)n3)cccc21
InChIInChI=1S/C24H34N4O/c1-2-3-4-5-6-7-8-9-17-28-18-15-19-20(12-10-14-22(19)28)23-26-24(29-27-23)21-13-11-16-25-21/h10,12,14-15,18,21,25H,2-9,11,13,16-17H2,1H3
InChIKeyZTUARPRPKMIFLG-UHFFFAOYSA-N
MW394.56 g/mol
LogP6.26
Rot. Bonds11

About 3-(1-decylindol-4-yl)-5-pyrrolidin-2-yl-1,2,4-oxadiazole

3-(1-decylindol-4-yl)-5-pyrrolidin-2-yl-1,2,4-oxadiazole (PubChem CID 121256577) has the molecular formula C24H34N4O and a molecular weight of 394.56 g/mol. Its IUPAC name is 3-(1-decylindol-4-yl)-5-pyrrolidin-2-yl-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-(1-decylindol-4-yl)-5-pyrrolidin-2-yl-1,2,4-oxadiazole
PubChem CID121256577
Molecular FormulaC24H34N4O
Molecular Weight394.56 g/mol
Exact Mass394.27
IUPAC Name3-(1-decylindol-4-yl)-5-pyrrolidin-2-yl-1,2,4-oxadiazole
SMILESCCCCCCCCCCn1ccc2c(-c3noc(C4CCCN4)n3)cccc21
InChIInChI=1S/C24H34N4O/c1-2-3-4-5-6-7-8-9-17-28-18-15-19-20(12-10-14-22(19)28)23-26-24(29-27-23)21-13-11-16-25-21/h10,12,14-15,18,21,25H,2-9,11,13,16-17H2,1H3
InChIKeyZTUARPRPKMIFLG-UHFFFAOYSA-N
XLogP6.26
TPSA55.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500394.56
LogP ≤ 56.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(1-decylindol-4-yl)-5-pyrrolidin-2-yl-1,2,4-oxadiazole?
The IUPAC name of 3-(1-decylindol-4-yl)-5-pyrrolidin-2-yl-1,2,4-oxadiazole (CID 121256577) is 3-(1-decylindol-4-yl)-5-pyrrolidin-2-yl-1,2,4-oxadiazole.
What is the SMILES notation for 3-(1-decylindol-4-yl)-5-pyrrolidin-2-yl-1,2,4-oxadiazole?
The canonical SMILES for 3-(1-decylindol-4-yl)-5-pyrrolidin-2-yl-1,2,4-oxadiazole is CCCCCCCCCCn1ccc2c(-c3noc(C4CCCN4)n3)cccc21.
What is the InChIKey of 3-(1-decylindol-4-yl)-5-pyrrolidin-2-yl-1,2,4-oxadiazole?
The InChIKey is ZTUARPRPKMIFLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H34N4O/c1-2-3-4-5-6-7-8-9-17-28-18-15-19-20(12-10-14-22(19)28)23-26-24(29-27-23)21-13-11-16-25-21/h10,12,14-15,18,21,25H,2-9,11,13,16-17H2,1H3.
What are the key properties of 3-(1-decylindol-4-yl)-5-pyrrolidin-2-yl-1,2,4-oxadiazole?
3-(1-decylindol-4-yl)-5-pyrrolidin-2-yl-1,2,4-oxadiazole has a molecular weight of 394.56 g/mol, XLogP of 6.26, 11 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-decylindol-4-yl)-5-pyrrolidin-2-yl-1,2,4-oxadiazole is sourced from PubChem (CID 121256577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).