5-(2,3-dihydro-1H-inden-1-ylmethyl)-3-[(4-methylpiperazin-1-yl)methyl]-1,2,4-oxadiazole

C18H24N4O — CID 72896925

IUPAC5-(2,3-dihydro-1H-inden-1-ylmethyl)-3-[(4-methylpiperazin-1-yl)methyl]-1,2,4-oxadiazole
SMILESCN1CCN(Cc2noc(CC3CCc4ccccc43)n2)CC1
InChIInChI=1S/C18H24N4O/c1-21-8-10-22(11-9-21)13-17-19-18(23-20-17)12-15-7-6-14-4-2-3-5-16(14)15/h2-5,15H,6-13H2,1H3
InChIKeyIZIUREQXXIFOSR-UHFFFAOYSA-N
MW312.42 g/mol
LogP2.09
Rot. Bonds4

About 5-(2,3-dihydro-1H-inden-1-ylmethyl)-3-[(4-methylpiperazin-1-yl)methyl]-1,2,4-oxadiazole

5-(2,3-dihydro-1H-inden-1-ylmethyl)-3-[(4-methylpiperazin-1-yl)methyl]-1,2,4-oxadiazole (PubChem CID 72896925) has the molecular formula C18H24N4O and a molecular weight of 312.42 g/mol. Its IUPAC name is 5-(2,3-dihydro-1H-inden-1-ylmethyl)-3-[(4-methylpiperazin-1-yl)methyl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-(2,3-dihydro-1H-inden-1-ylmethyl)-3-[(4-methylpiperazin-1-yl)methyl]-1,2,4-oxadiazole
PubChem CID72896925
Molecular FormulaC18H24N4O
Molecular Weight312.42 g/mol
Exact Mass312.20
IUPAC Name5-(2,3-dihydro-1H-inden-1-ylmethyl)-3-[(4-methylpiperazin-1-yl)methyl]-1,2,4-oxadiazole
SMILESCN1CCN(Cc2noc(CC3CCc4ccccc43)n2)CC1
InChIInChI=1S/C18H24N4O/c1-21-8-10-22(11-9-21)13-17-19-18(23-20-17)12-15-7-6-14-4-2-3-5-16(14)15/h2-5,15H,6-13H2,1H3
InChIKeyIZIUREQXXIFOSR-UHFFFAOYSA-N
XLogP2.09
TPSA45.40 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.42
LogP ≤ 52.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 5-(2,3-dihydro-1H-inden-1-ylmethyl)-3-[(4-methylpiperazin-1-yl)methyl]-1,2,4-oxadiazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-(2,3-dihydro-1H-inden-1-ylmethyl)-3-[(4-methylpiperazin-1-yl)methyl]-1,2,4-oxadiazole?
The IUPAC name of 5-(2,3-dihydro-1H-inden-1-ylmethyl)-3-[(4-methylpiperazin-1-yl)methyl]-1,2,4-oxadiazole (CID 72896925) is 5-(2,3-dihydro-1H-inden-1-ylmethyl)-3-[(4-methylpiperazin-1-yl)methyl]-1,2,4-oxadiazole.
What is the SMILES notation for 5-(2,3-dihydro-1H-inden-1-ylmethyl)-3-[(4-methylpiperazin-1-yl)methyl]-1,2,4-oxadiazole?
The canonical SMILES for 5-(2,3-dihydro-1H-inden-1-ylmethyl)-3-[(4-methylpiperazin-1-yl)methyl]-1,2,4-oxadiazole is CN1CCN(Cc2noc(CC3CCc4ccccc43)n2)CC1.
What is the InChIKey of 5-(2,3-dihydro-1H-inden-1-ylmethyl)-3-[(4-methylpiperazin-1-yl)methyl]-1,2,4-oxadiazole?
The InChIKey is IZIUREQXXIFOSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O/c1-21-8-10-22(11-9-21)13-17-19-18(23-20-17)12-15-7-6-14-4-2-3-5-16(14)15/h2-5,15H,6-13H2,1H3.
What are the key properties of 5-(2,3-dihydro-1H-inden-1-ylmethyl)-3-[(4-methylpiperazin-1-yl)methyl]-1,2,4-oxadiazole?
5-(2,3-dihydro-1H-inden-1-ylmethyl)-3-[(4-methylpiperazin-1-yl)methyl]-1,2,4-oxadiazole has a molecular weight of 312.42 g/mol, XLogP of 2.09, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,3-dihydro-1H-inden-1-ylmethyl)-3-[(4-methylpiperazin-1-yl)methyl]-1,2,4-oxadiazole is sourced from PubChem (CID 72896925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).