3-(1-methylindol-5-yl)-5-[3-methyl-4-(2-methylpiperidin-1-yl)phenyl]-1,2,4-oxadiazole

C24H26N4O — CID 58443332

IUPAC3-(1-methylindol-5-yl)-5-[3-methyl-4-(2-methylpiperidin-1-yl)phenyl]-1,2,4-oxadiazole
SMILESCc1cc(-c2nc(-c3ccc4c(ccn4C)c3)no2)ccc1N1CCCCC1C
InChIInChI=1S/C24H26N4O/c1-16-14-20(8-9-21(16)28-12-5-4-6-17(28)2)24-25-23(26-29-24)19-7-10-22-18(15-19)11-13-27(22)3/h7-11,13-15,17H,4-6,12H2,1-3H3
InChIKeySGURTIXODRNWTJ-UHFFFAOYSA-N
MW386.50 g/mol
LogP5.58
Rot. Bonds3

About 3-(1-methylindol-5-yl)-5-[3-methyl-4-(2-methylpiperidin-1-yl)phenyl]-1,2,4-oxadiazole

3-(1-methylindol-5-yl)-5-[3-methyl-4-(2-methylpiperidin-1-yl)phenyl]-1,2,4-oxadiazole (PubChem CID 58443332) has the molecular formula C24H26N4O and a molecular weight of 386.50 g/mol. Its IUPAC name is 3-(1-methylindol-5-yl)-5-[3-methyl-4-(2-methylpiperidin-1-yl)phenyl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-(1-methylindol-5-yl)-5-[3-methyl-4-(2-methylpiperidin-1-yl)phenyl]-1,2,4-oxadiazole
PubChem CID58443332
Molecular FormulaC24H26N4O
Molecular Weight386.50 g/mol
Exact Mass386.21
IUPAC Name3-(1-methylindol-5-yl)-5-[3-methyl-4-(2-methylpiperidin-1-yl)phenyl]-1,2,4-oxadiazole
SMILESCc1cc(-c2nc(-c3ccc4c(ccn4C)c3)no2)ccc1N1CCCCC1C
InChIInChI=1S/C24H26N4O/c1-16-14-20(8-9-21(16)28-12-5-4-6-17(28)2)24-25-23(26-29-24)19-7-10-22-18(15-19)11-13-27(22)3/h7-11,13-15,17H,4-6,12H2,1-3H3
InChIKeySGURTIXODRNWTJ-UHFFFAOYSA-N
XLogP5.58
TPSA47.09 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500386.50
LogP ≤ 55.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(1-methylindol-5-yl)-5-[3-methyl-4-(2-methylpiperidin-1-yl)phenyl]-1,2,4-oxadiazole?
The IUPAC name of 3-(1-methylindol-5-yl)-5-[3-methyl-4-(2-methylpiperidin-1-yl)phenyl]-1,2,4-oxadiazole (CID 58443332) is 3-(1-methylindol-5-yl)-5-[3-methyl-4-(2-methylpiperidin-1-yl)phenyl]-1,2,4-oxadiazole.
What is the SMILES notation for 3-(1-methylindol-5-yl)-5-[3-methyl-4-(2-methylpiperidin-1-yl)phenyl]-1,2,4-oxadiazole?
The canonical SMILES for 3-(1-methylindol-5-yl)-5-[3-methyl-4-(2-methylpiperidin-1-yl)phenyl]-1,2,4-oxadiazole is Cc1cc(-c2nc(-c3ccc4c(ccn4C)c3)no2)ccc1N1CCCCC1C.
What is the InChIKey of 3-(1-methylindol-5-yl)-5-[3-methyl-4-(2-methylpiperidin-1-yl)phenyl]-1,2,4-oxadiazole?
The InChIKey is SGURTIXODRNWTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N4O/c1-16-14-20(8-9-21(16)28-12-5-4-6-17(28)2)24-25-23(26-29-24)19-7-10-22-18(15-19)11-13-27(22)3/h7-11,13-15,17H,4-6,12H2,1-3H3.
What are the key properties of 3-(1-methylindol-5-yl)-5-[3-methyl-4-(2-methylpiperidin-1-yl)phenyl]-1,2,4-oxadiazole?
3-(1-methylindol-5-yl)-5-[3-methyl-4-(2-methylpiperidin-1-yl)phenyl]-1,2,4-oxadiazole has a molecular weight of 386.50 g/mol, XLogP of 5.58, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-methylindol-5-yl)-5-[3-methyl-4-(2-methylpiperidin-1-yl)phenyl]-1,2,4-oxadiazole is sourced from PubChem (CID 58443332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).