3-(5-methyl-1,2,3,4-tetrahydroisoquinolin-6-yl)-5-(1-propan-2-ylindol-5-yl)-1,2,4-oxadiazole

C23H24N4O — CID 90356118

IUPAC3-(5-methyl-1,2,3,4-tetrahydroisoquinolin-6-yl)-5-(1-propan-2-ylindol-5-yl)-1,2,4-oxadiazole
SMILESCc1c(-c2noc(-c3ccc4c(ccn4C(C)C)c3)n2)ccc2c1CCNC2
InChIInChI=1S/C23H24N4O/c1-14(2)27-11-9-16-12-17(5-7-21(16)27)23-25-22(26-28-23)20-6-4-18-13-24-10-8-19(18)15(20)3/h4-7,9,11-12,14,24H,8,10,13H2,1-3H3
InChIKeyUOKOBRKLCGGLBO-UHFFFAOYSA-N
MW372.47 g/mol
LogP4.89
Rot. Bonds3

About 3-(5-methyl-1,2,3,4-tetrahydroisoquinolin-6-yl)-5-(1-propan-2-ylindol-5-yl)-1,2,4-oxadiazole

3-(5-methyl-1,2,3,4-tetrahydroisoquinolin-6-yl)-5-(1-propan-2-ylindol-5-yl)-1,2,4-oxadiazole (PubChem CID 90356118) has the molecular formula C23H24N4O and a molecular weight of 372.47 g/mol. Its IUPAC name is 3-(5-methyl-1,2,3,4-tetrahydroisoquinolin-6-yl)-5-(1-propan-2-ylindol-5-yl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-(5-methyl-1,2,3,4-tetrahydroisoquinolin-6-yl)-5-(1-propan-2-ylindol-5-yl)-1,2,4-oxadiazole
PubChem CID90356118
Molecular FormulaC23H24N4O
Molecular Weight372.47 g/mol
Exact Mass372.20
IUPAC Name3-(5-methyl-1,2,3,4-tetrahydroisoquinolin-6-yl)-5-(1-propan-2-ylindol-5-yl)-1,2,4-oxadiazole
SMILESCc1c(-c2noc(-c3ccc4c(ccn4C(C)C)c3)n2)ccc2c1CCNC2
InChIInChI=1S/C23H24N4O/c1-14(2)27-11-9-16-12-17(5-7-21(16)27)23-25-22(26-28-23)20-6-4-18-13-24-10-8-19(18)15(20)3/h4-7,9,11-12,14,24H,8,10,13H2,1-3H3
InChIKeyUOKOBRKLCGGLBO-UHFFFAOYSA-N
XLogP4.89
TPSA55.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.47
LogP ≤ 54.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(5-methyl-1,2,3,4-tetrahydroisoquinolin-6-yl)-5-(1-propan-2-ylindol-5-yl)-1,2,4-oxadiazole?
The IUPAC name of 3-(5-methyl-1,2,3,4-tetrahydroisoquinolin-6-yl)-5-(1-propan-2-ylindol-5-yl)-1,2,4-oxadiazole (CID 90356118) is 3-(5-methyl-1,2,3,4-tetrahydroisoquinolin-6-yl)-5-(1-propan-2-ylindol-5-yl)-1,2,4-oxadiazole.
What is the SMILES notation for 3-(5-methyl-1,2,3,4-tetrahydroisoquinolin-6-yl)-5-(1-propan-2-ylindol-5-yl)-1,2,4-oxadiazole?
The canonical SMILES for 3-(5-methyl-1,2,3,4-tetrahydroisoquinolin-6-yl)-5-(1-propan-2-ylindol-5-yl)-1,2,4-oxadiazole is Cc1c(-c2noc(-c3ccc4c(ccn4C(C)C)c3)n2)ccc2c1CCNC2.
What is the InChIKey of 3-(5-methyl-1,2,3,4-tetrahydroisoquinolin-6-yl)-5-(1-propan-2-ylindol-5-yl)-1,2,4-oxadiazole?
The InChIKey is UOKOBRKLCGGLBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N4O/c1-14(2)27-11-9-16-12-17(5-7-21(16)27)23-25-22(26-28-23)20-6-4-18-13-24-10-8-19(18)15(20)3/h4-7,9,11-12,14,24H,8,10,13H2,1-3H3.
What are the key properties of 3-(5-methyl-1,2,3,4-tetrahydroisoquinolin-6-yl)-5-(1-propan-2-ylindol-5-yl)-1,2,4-oxadiazole?
3-(5-methyl-1,2,3,4-tetrahydroisoquinolin-6-yl)-5-(1-propan-2-ylindol-5-yl)-1,2,4-oxadiazole has a molecular weight of 372.47 g/mol, XLogP of 4.89, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-methyl-1,2,3,4-tetrahydroisoquinolin-6-yl)-5-(1-propan-2-ylindol-5-yl)-1,2,4-oxadiazole is sourced from PubChem (CID 90356118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).