1-[5-(2,3-dihydro-1H-indol-3-ylmethyl)-1,2,4-oxadiazol-3-yl]-N,N-dimethylmethanamine

C14H18N4O — CID 80577248

IUPAC1-[5-(2,3-dihydro-1H-indol-3-ylmethyl)-1,2,4-oxadiazol-3-yl]-N,N-dimethylmethanamine
SMILESCN(C)Cc1noc(CC2CNc3ccccc32)n1
InChIInChI=1S/C14H18N4O/c1-18(2)9-13-16-14(19-17-13)7-10-8-15-12-6-4-3-5-11(10)12/h3-6,10,15H,7-9H2,1-2H3
InChIKeyLSGKDMGGHLLUFI-UHFFFAOYSA-N
MW258.32 g/mol
LogP1.88
Rot. Bonds4

About 1-[5-(2,3-dihydro-1H-indol-3-ylmethyl)-1,2,4-oxadiazol-3-yl]-N,N-dimethylmethanamine

1-[5-(2,3-dihydro-1H-indol-3-ylmethyl)-1,2,4-oxadiazol-3-yl]-N,N-dimethylmethanamine (PubChem CID 80577248) has the molecular formula C14H18N4O and a molecular weight of 258.32 g/mol. Its IUPAC name is 1-[5-(2,3-dihydro-1H-indol-3-ylmethyl)-1,2,4-oxadiazol-3-yl]-N,N-dimethylmethanamine.

Molecular Properties

Compound Name1-[5-(2,3-dihydro-1H-indol-3-ylmethyl)-1,2,4-oxadiazol-3-yl]-N,N-dimethylmethanamine
PubChem CID80577248
Molecular FormulaC14H18N4O
Molecular Weight258.32 g/mol
Exact Mass258.15
IUPAC Name1-[5-(2,3-dihydro-1H-indol-3-ylmethyl)-1,2,4-oxadiazol-3-yl]-N,N-dimethylmethanamine
SMILESCN(C)Cc1noc(CC2CNc3ccccc32)n1
InChIInChI=1S/C14H18N4O/c1-18(2)9-13-16-14(19-17-13)7-10-8-15-12-6-4-3-5-11(10)12/h3-6,10,15H,7-9H2,1-2H3
InChIKeyLSGKDMGGHLLUFI-UHFFFAOYSA-N
XLogP1.88
TPSA54.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[5-(2,3-dihydro-1H-indol-3-ylmethyl)-1,2,4-oxadiazol-3-yl]-N,N-dimethylmethanamine?
The IUPAC name of 1-[5-(2,3-dihydro-1H-indol-3-ylmethyl)-1,2,4-oxadiazol-3-yl]-N,N-dimethylmethanamine (CID 80577248) is 1-[5-(2,3-dihydro-1H-indol-3-ylmethyl)-1,2,4-oxadiazol-3-yl]-N,N-dimethylmethanamine.
What is the SMILES notation for 1-[5-(2,3-dihydro-1H-indol-3-ylmethyl)-1,2,4-oxadiazol-3-yl]-N,N-dimethylmethanamine?
The canonical SMILES for 1-[5-(2,3-dihydro-1H-indol-3-ylmethyl)-1,2,4-oxadiazol-3-yl]-N,N-dimethylmethanamine is CN(C)Cc1noc(CC2CNc3ccccc32)n1.
What is the InChIKey of 1-[5-(2,3-dihydro-1H-indol-3-ylmethyl)-1,2,4-oxadiazol-3-yl]-N,N-dimethylmethanamine?
The InChIKey is LSGKDMGGHLLUFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O/c1-18(2)9-13-16-14(19-17-13)7-10-8-15-12-6-4-3-5-11(10)12/h3-6,10,15H,7-9H2,1-2H3.
What are the key properties of 1-[5-(2,3-dihydro-1H-indol-3-ylmethyl)-1,2,4-oxadiazol-3-yl]-N,N-dimethylmethanamine?
1-[5-(2,3-dihydro-1H-indol-3-ylmethyl)-1,2,4-oxadiazol-3-yl]-N,N-dimethylmethanamine has a molecular weight of 258.32 g/mol, XLogP of 1.88, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(2,3-dihydro-1H-indol-3-ylmethyl)-1,2,4-oxadiazol-3-yl]-N,N-dimethylmethanamine is sourced from PubChem (CID 80577248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).