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

C19H20N4O — CID 892269

IUPAC3-phenyl-5-[(4-phenylpiperazin-1-yl)methyl]-1,2,4-oxadiazole
SMILESc1ccc(-c2noc(CN3CCN(c4ccccc4)CC3)n2)cc1
InChIInChI=1S/C19H20N4O/c1-3-7-16(8-4-1)19-20-18(24-21-19)15-22-11-13-23(14-12-22)17-9-5-2-6-10-17/h1-10H,11-15H2
InChIKeyGJOUQOOUPAHVFP-UHFFFAOYSA-N
MW320.40 g/mol
LogP3.06
Rot. Bonds4

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

3-phenyl-5-[(4-phenylpiperazin-1-yl)methyl]-1,2,4-oxadiazole (PubChem CID 892269) has the molecular formula C19H20N4O and a molecular weight of 320.40 g/mol. Its IUPAC name is 3-phenyl-5-[(4-phenylpiperazin-1-yl)methyl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-phenyl-5-[(4-phenylpiperazin-1-yl)methyl]-1,2,4-oxadiazole
PubChem CID892269
Molecular FormulaC19H20N4O
Molecular Weight320.40 g/mol
Exact Mass320.16
IUPAC Name3-phenyl-5-[(4-phenylpiperazin-1-yl)methyl]-1,2,4-oxadiazole
SMILESc1ccc(-c2noc(CN3CCN(c4ccccc4)CC3)n2)cc1
InChIInChI=1S/C19H20N4O/c1-3-7-16(8-4-1)19-20-18(24-21-19)15-22-11-13-23(14-12-22)17-9-5-2-6-10-17/h1-10H,11-15H2
InChIKeyGJOUQOOUPAHVFP-UHFFFAOYSA-N
XLogP3.06
TPSA45.40 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.40
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-phenyl-5-[(4-phenylpiperazin-1-yl)methyl]-1,2,4-oxadiazole?
The IUPAC name of 3-phenyl-5-[(4-phenylpiperazin-1-yl)methyl]-1,2,4-oxadiazole (CID 892269) is 3-phenyl-5-[(4-phenylpiperazin-1-yl)methyl]-1,2,4-oxadiazole.
What is the SMILES notation for 3-phenyl-5-[(4-phenylpiperazin-1-yl)methyl]-1,2,4-oxadiazole?
The canonical SMILES for 3-phenyl-5-[(4-phenylpiperazin-1-yl)methyl]-1,2,4-oxadiazole is c1ccc(-c2noc(CN3CCN(c4ccccc4)CC3)n2)cc1.
What is the InChIKey of 3-phenyl-5-[(4-phenylpiperazin-1-yl)methyl]-1,2,4-oxadiazole?
The InChIKey is GJOUQOOUPAHVFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O/c1-3-7-16(8-4-1)19-20-18(24-21-19)15-22-11-13-23(14-12-22)17-9-5-2-6-10-17/h1-10H,11-15H2.
What are the key properties of 3-phenyl-5-[(4-phenylpiperazin-1-yl)methyl]-1,2,4-oxadiazole?
3-phenyl-5-[(4-phenylpiperazin-1-yl)methyl]-1,2,4-oxadiazole has a molecular weight of 320.40 g/mol, XLogP of 3.06, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-5-[(4-phenylpiperazin-1-yl)methyl]-1,2,4-oxadiazole is sourced from PubChem (CID 892269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).