(4-methylpiperazin-1-yl)-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)phenyl]methanone

C20H20N4O2 — CID 665614

IUPAC(4-methylpiperazin-1-yl)-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)phenyl]methanone
SMILESCN1CCN(C(=O)c2ccccc2-c2nc(-c3ccccc3)no2)CC1
InChIInChI=1S/C20H20N4O2/c1-23-11-13-24(14-12-23)20(25)17-10-6-5-9-16(17)19-21-18(22-26-19)15-7-3-2-4-8-15/h2-10H,11-14H2,1H3
InChIKeyPZXZYNBIZMZIOU-UHFFFAOYSA-N
MW348.41 g/mol
LogP2.79
Rot. Bonds3

About (4-methylpiperazin-1-yl)-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)phenyl]methanone

(4-methylpiperazin-1-yl)-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)phenyl]methanone (PubChem CID 665614) has the molecular formula C20H20N4O2 and a molecular weight of 348.41 g/mol. Its IUPAC name is (4-methylpiperazin-1-yl)-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)phenyl]methanone.

Molecular Properties

Compound Name(4-methylpiperazin-1-yl)-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)phenyl]methanone
PubChem CID665614
Molecular FormulaC20H20N4O2
Molecular Weight348.41 g/mol
Exact Mass348.16
IUPAC Name(4-methylpiperazin-1-yl)-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)phenyl]methanone
SMILESCN1CCN(C(=O)c2ccccc2-c2nc(-c3ccccc3)no2)CC1
InChIInChI=1S/C20H20N4O2/c1-23-11-13-24(14-12-23)20(25)17-10-6-5-9-16(17)19-21-18(22-26-19)15-7-3-2-4-8-15/h2-10H,11-14H2,1H3
InChIKeyPZXZYNBIZMZIOU-UHFFFAOYSA-N
XLogP2.79
TPSA62.47 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.41
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (4-methylpiperazin-1-yl)-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)phenyl]methanone?
The IUPAC name of (4-methylpiperazin-1-yl)-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)phenyl]methanone (CID 665614) is (4-methylpiperazin-1-yl)-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)phenyl]methanone.
What is the SMILES notation for (4-methylpiperazin-1-yl)-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)phenyl]methanone?
The canonical SMILES for (4-methylpiperazin-1-yl)-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)phenyl]methanone is CN1CCN(C(=O)c2ccccc2-c2nc(-c3ccccc3)no2)CC1.
What is the InChIKey of (4-methylpiperazin-1-yl)-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)phenyl]methanone?
The InChIKey is PZXZYNBIZMZIOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O2/c1-23-11-13-24(14-12-23)20(25)17-10-6-5-9-16(17)19-21-18(22-26-19)15-7-3-2-4-8-15/h2-10H,11-14H2,1H3.
What are the key properties of (4-methylpiperazin-1-yl)-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)phenyl]methanone?
(4-methylpiperazin-1-yl)-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)phenyl]methanone has a molecular weight of 348.41 g/mol, XLogP of 2.79, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methylpiperazin-1-yl)-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)phenyl]methanone is sourced from PubChem (CID 665614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).