5-[[4-(4-methoxyphenyl)piperazin-1-yl]methyl]-3-phenyl-1,2,4-oxadiazole

C20H22N4O2 — CID 2214080

IUPAC5-[[4-(4-methoxyphenyl)piperazin-1-yl]methyl]-3-phenyl-1,2,4-oxadiazole
SMILESCOc1ccc(N2CCN(Cc3nc(-c4ccccc4)no3)CC2)cc1
InChIInChI=1S/C20H22N4O2/c1-25-18-9-7-17(8-10-18)24-13-11-23(12-14-24)15-19-21-20(22-26-19)16-5-3-2-4-6-16/h2-10H,11-15H2,1H3
InChIKeyDOJRRUFAWLPXOQ-UHFFFAOYSA-N
MW350.42 g/mol
LogP3.07
Rot. Bonds5

About 5-[[4-(4-methoxyphenyl)piperazin-1-yl]methyl]-3-phenyl-1,2,4-oxadiazole

5-[[4-(4-methoxyphenyl)piperazin-1-yl]methyl]-3-phenyl-1,2,4-oxadiazole (PubChem CID 2214080) has the molecular formula C20H22N4O2 and a molecular weight of 350.42 g/mol. Its IUPAC name is 5-[[4-(4-methoxyphenyl)piperazin-1-yl]methyl]-3-phenyl-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-[[4-(4-methoxyphenyl)piperazin-1-yl]methyl]-3-phenyl-1,2,4-oxadiazole
PubChem CID2214080
Molecular FormulaC20H22N4O2
Molecular Weight350.42 g/mol
Exact Mass350.17
IUPAC Name5-[[4-(4-methoxyphenyl)piperazin-1-yl]methyl]-3-phenyl-1,2,4-oxadiazole
SMILESCOc1ccc(N2CCN(Cc3nc(-c4ccccc4)no3)CC2)cc1
InChIInChI=1S/C20H22N4O2/c1-25-18-9-7-17(8-10-18)24-13-11-23(12-14-24)15-19-21-20(22-26-19)16-5-3-2-4-6-16/h2-10H,11-15H2,1H3
InChIKeyDOJRRUFAWLPXOQ-UHFFFAOYSA-N
XLogP3.07
TPSA54.63 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.42
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-[[4-(4-methoxyphenyl)piperazin-1-yl]methyl]-3-phenyl-1,2,4-oxadiazole?
The IUPAC name of 5-[[4-(4-methoxyphenyl)piperazin-1-yl]methyl]-3-phenyl-1,2,4-oxadiazole (CID 2214080) is 5-[[4-(4-methoxyphenyl)piperazin-1-yl]methyl]-3-phenyl-1,2,4-oxadiazole.
What is the SMILES notation for 5-[[4-(4-methoxyphenyl)piperazin-1-yl]methyl]-3-phenyl-1,2,4-oxadiazole?
The canonical SMILES for 5-[[4-(4-methoxyphenyl)piperazin-1-yl]methyl]-3-phenyl-1,2,4-oxadiazole is COc1ccc(N2CCN(Cc3nc(-c4ccccc4)no3)CC2)cc1.
What is the InChIKey of 5-[[4-(4-methoxyphenyl)piperazin-1-yl]methyl]-3-phenyl-1,2,4-oxadiazole?
The InChIKey is DOJRRUFAWLPXOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O2/c1-25-18-9-7-17(8-10-18)24-13-11-23(12-14-24)15-19-21-20(22-26-19)16-5-3-2-4-6-16/h2-10H,11-15H2,1H3.
What are the key properties of 5-[[4-(4-methoxyphenyl)piperazin-1-yl]methyl]-3-phenyl-1,2,4-oxadiazole?
5-[[4-(4-methoxyphenyl)piperazin-1-yl]methyl]-3-phenyl-1,2,4-oxadiazole has a molecular weight of 350.42 g/mol, XLogP of 3.07, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[4-(4-methoxyphenyl)piperazin-1-yl]methyl]-3-phenyl-1,2,4-oxadiazole is sourced from PubChem (CID 2214080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).