1-(2,3-dihydro-1H-inden-5-yl)-3-[3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]propan-1-one;hydrochloride

C19H25ClN4O2 — CID 120959514

About 1-(2,3-dihydro-1H-inden-5-yl)-3-[3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]propan-1-one;hydrochloride

1-(2,3-dihydro-1H-inden-5-yl)-3-[3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]propan-1-one;hydrochloride (PubChem CID 120959514) has the molecular formula C19H25ClN4O2 and a molecular weight of 376.89 g/mol. Its IUPAC name is 1-(2,3-dihydro-1H-inden-5-yl)-3-[3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]propan-1-one;hydrochloride.

Molecular Properties

• Compound Name: 1-(2,3-dihydro-1H-inden-5-yl)-3-[3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]propan-1-one;hydrochloride
• PubChem CID: 120959514
• Molecular Formula: C19H25ClN4O2
• Molecular Weight: 376.89 g/mol
• Exact Mass: 376.17
• IUPAC Name: 1-(2,3-dihydro-1H-inden-5-yl)-3-[3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]propan-1-one;hydrochloride
• SMILES: CN1CCNCC1c1noc(CCC(=O)c2ccc3c(c2)CCC3)n1.Cl
• InChI: InChI=1S/C19H24N4O2.ClH/c1-23-10-9-20-12-16(23)19-21-18(25-22-19)8-7-17(24)15-6-5-13-3-2-4-14(13)11-15;/h5-6,11,16,20H,2-4,7-10,12H2,1H3;1H
• InChIKey: YTBMCWONDJELIX-UHFFFAOYSA-N
• XLogP: 2.37
• TPSA: 71.26 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	376.89
LogP ≤ 5	2.37
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydro-1H-inden-5-yl)-3-[3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]propan-1-one;hydrochloride?

The IUPAC name of 1-(2,3-dihydro-1H-inden-5-yl)-3-[3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]propan-1-one;hydrochloride (CID 120959514) is 1-(2,3-dihydro-1H-inden-5-yl)-3-[3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]propan-1-one;hydrochloride.

What is the SMILES notation for 1-(2,3-dihydro-1H-inden-5-yl)-3-[3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]propan-1-one;hydrochloride?

The canonical SMILES for 1-(2,3-dihydro-1H-inden-5-yl)-3-[3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]propan-1-one;hydrochloride is CN1CCNCC1c1noc(CCC(=O)c2ccc3c(c2)CCC3)n1.Cl.

What is the InChIKey of 1-(2,3-dihydro-1H-inden-5-yl)-3-[3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]propan-1-one;hydrochloride?

The InChIKey is YTBMCWONDJELIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O2.ClH/c1-23-10-9-20-12-16(23)19-21-18(25-22-19)8-7-17(24)15-6-5-13-3-2-4-14(13)11-15;/h5-6,11,16,20H,2-4,7-10,12H2,1H3;1H.

What are the key properties of 1-(2,3-dihydro-1H-inden-5-yl)-3-[3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]propan-1-one;hydrochloride?

1-(2,3-dihydro-1H-inden-5-yl)-3-[3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]propan-1-one;hydrochloride has a molecular weight of 376.89 g/mol, XLogP of 2.37, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(2,3-dihydro-1H-inden-5-yl)-3-[3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]propan-1-one;hydrochloride is sourced from PubChem (CID 120959514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).