3-methyl-4-[1-[(2-methyl-1H-indol-4-yl)methyl]pyrrolidin-2-yl]-1,2,5-oxadiazole

C17H20N4O — CID 71137778

IUPAC3-methyl-4-[1-[(2-methyl-1H-indol-4-yl)methyl]pyrrolidin-2-yl]-1,2,5-oxadiazole
SMILESCc1cc2c(CN3CCCC3c3nonc3C)cccc2[nH]1
InChIInChI=1S/C17H20N4O/c1-11-9-14-13(5-3-6-15(14)18-11)10-21-8-4-7-16(21)17-12(2)19-22-20-17/h3,5-6,9,16,18H,4,7-8,10H2,1-2H3
InChIKeyUASXEOYMODYELD-UHFFFAOYSA-N
MW296.37 g/mol
LogP3.50
Rot. Bonds3

About 3-methyl-4-[1-[(2-methyl-1H-indol-4-yl)methyl]pyrrolidin-2-yl]-1,2,5-oxadiazole

3-methyl-4-[1-[(2-methyl-1H-indol-4-yl)methyl]pyrrolidin-2-yl]-1,2,5-oxadiazole (PubChem CID 71137778) has the molecular formula C17H20N4O and a molecular weight of 296.37 g/mol. Its IUPAC name is 3-methyl-4-[1-[(2-methyl-1H-indol-4-yl)methyl]pyrrolidin-2-yl]-1,2,5-oxadiazole.

Molecular Properties

Compound Name3-methyl-4-[1-[(2-methyl-1H-indol-4-yl)methyl]pyrrolidin-2-yl]-1,2,5-oxadiazole
PubChem CID71137778
Molecular FormulaC17H20N4O
Molecular Weight296.37 g/mol
Exact Mass296.16
IUPAC Name3-methyl-4-[1-[(2-methyl-1H-indol-4-yl)methyl]pyrrolidin-2-yl]-1,2,5-oxadiazole
SMILESCc1cc2c(CN3CCCC3c3nonc3C)cccc2[nH]1
InChIInChI=1S/C17H20N4O/c1-11-9-14-13(5-3-6-15(14)18-11)10-21-8-4-7-16(21)17-12(2)19-22-20-17/h3,5-6,9,16,18H,4,7-8,10H2,1-2H3
InChIKeyUASXEOYMODYELD-UHFFFAOYSA-N
XLogP3.50
TPSA57.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-4-[1-[(2-methyl-1H-indol-4-yl)methyl]pyrrolidin-2-yl]-1,2,5-oxadiazole?
The IUPAC name of 3-methyl-4-[1-[(2-methyl-1H-indol-4-yl)methyl]pyrrolidin-2-yl]-1,2,5-oxadiazole (CID 71137778) is 3-methyl-4-[1-[(2-methyl-1H-indol-4-yl)methyl]pyrrolidin-2-yl]-1,2,5-oxadiazole.
What is the SMILES notation for 3-methyl-4-[1-[(2-methyl-1H-indol-4-yl)methyl]pyrrolidin-2-yl]-1,2,5-oxadiazole?
The canonical SMILES for 3-methyl-4-[1-[(2-methyl-1H-indol-4-yl)methyl]pyrrolidin-2-yl]-1,2,5-oxadiazole is Cc1cc2c(CN3CCCC3c3nonc3C)cccc2[nH]1.
What is the InChIKey of 3-methyl-4-[1-[(2-methyl-1H-indol-4-yl)methyl]pyrrolidin-2-yl]-1,2,5-oxadiazole?
The InChIKey is UASXEOYMODYELD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O/c1-11-9-14-13(5-3-6-15(14)18-11)10-21-8-4-7-16(21)17-12(2)19-22-20-17/h3,5-6,9,16,18H,4,7-8,10H2,1-2H3.
What are the key properties of 3-methyl-4-[1-[(2-methyl-1H-indol-4-yl)methyl]pyrrolidin-2-yl]-1,2,5-oxadiazole?
3-methyl-4-[1-[(2-methyl-1H-indol-4-yl)methyl]pyrrolidin-2-yl]-1,2,5-oxadiazole has a molecular weight of 296.37 g/mol, XLogP of 3.50, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-4-[1-[(2-methyl-1H-indol-4-yl)methyl]pyrrolidin-2-yl]-1,2,5-oxadiazole is sourced from PubChem (CID 71137778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).