2-[2-(5-butyl-1,3,4-oxadiazol-2-yl)indol-1-yl]-1-phenylethanone

C22H21N3O2 — CID 41160183

IUPAC2-[2-(5-butyl-1,3,4-oxadiazol-2-yl)indol-1-yl]-1-phenylethanone
SMILESCCCCc1nnc(-c2cc3ccccc3n2CC(=O)c2ccccc2)o1
InChIInChI=1S/C22H21N3O2/c1-2-3-13-21-23-24-22(27-21)19-14-17-11-7-8-12-18(17)25(19)15-20(26)16-9-5-4-6-10-16/h4-12,14H,2-3,13,15H2,1H3
InChIKeyLPBAYXDNVGIRPG-UHFFFAOYSA-N
MW359.43 g/mol
LogP4.92
Rot. Bonds7

About 2-[2-(5-butyl-1,3,4-oxadiazol-2-yl)indol-1-yl]-1-phenylethanone

2-[2-(5-butyl-1,3,4-oxadiazol-2-yl)indol-1-yl]-1-phenylethanone (PubChem CID 41160183) has the molecular formula C22H21N3O2 and a molecular weight of 359.43 g/mol. Its IUPAC name is 2-[2-(5-butyl-1,3,4-oxadiazol-2-yl)indol-1-yl]-1-phenylethanone.

Molecular Properties

Compound Name2-[2-(5-butyl-1,3,4-oxadiazol-2-yl)indol-1-yl]-1-phenylethanone
PubChem CID41160183
Molecular FormulaC22H21N3O2
Molecular Weight359.43 g/mol
Exact Mass359.16
IUPAC Name2-[2-(5-butyl-1,3,4-oxadiazol-2-yl)indol-1-yl]-1-phenylethanone
SMILESCCCCc1nnc(-c2cc3ccccc3n2CC(=O)c2ccccc2)o1
InChIInChI=1S/C22H21N3O2/c1-2-3-13-21-23-24-22(27-21)19-14-17-11-7-8-12-18(17)25(19)15-20(26)16-9-5-4-6-10-16/h4-12,14H,2-3,13,15H2,1H3
InChIKeyLPBAYXDNVGIRPG-UHFFFAOYSA-N
XLogP4.92
TPSA60.92 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.43
LogP ≤ 54.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(5-butyl-1,3,4-oxadiazol-2-yl)indol-1-yl]-1-phenylethanone?
The IUPAC name of 2-[2-(5-butyl-1,3,4-oxadiazol-2-yl)indol-1-yl]-1-phenylethanone (CID 41160183) is 2-[2-(5-butyl-1,3,4-oxadiazol-2-yl)indol-1-yl]-1-phenylethanone.
What is the SMILES notation for 2-[2-(5-butyl-1,3,4-oxadiazol-2-yl)indol-1-yl]-1-phenylethanone?
The canonical SMILES for 2-[2-(5-butyl-1,3,4-oxadiazol-2-yl)indol-1-yl]-1-phenylethanone is CCCCc1nnc(-c2cc3ccccc3n2CC(=O)c2ccccc2)o1.
What is the InChIKey of 2-[2-(5-butyl-1,3,4-oxadiazol-2-yl)indol-1-yl]-1-phenylethanone?
The InChIKey is LPBAYXDNVGIRPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N3O2/c1-2-3-13-21-23-24-22(27-21)19-14-17-11-7-8-12-18(17)25(19)15-20(26)16-9-5-4-6-10-16/h4-12,14H,2-3,13,15H2,1H3.
What are the key properties of 2-[2-(5-butyl-1,3,4-oxadiazol-2-yl)indol-1-yl]-1-phenylethanone?
2-[2-(5-butyl-1,3,4-oxadiazol-2-yl)indol-1-yl]-1-phenylethanone has a molecular weight of 359.43 g/mol, XLogP of 4.92, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(5-butyl-1,3,4-oxadiazol-2-yl)indol-1-yl]-1-phenylethanone is sourced from PubChem (CID 41160183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).