5-[(3,4-dimethylpiperazin-1-yl)methyl]-3-[(2-fluorophenyl)methyl]-1,2,4-oxadiazole

C16H21FN4O — CID 45233932

IUPAC5-[(3,4-dimethylpiperazin-1-yl)methyl]-3-[(2-fluorophenyl)methyl]-1,2,4-oxadiazole
SMILESCC1CN(Cc2nc(Cc3ccccc3F)no2)CCN1C
InChIInChI=1S/C16H21FN4O/c1-12-10-21(8-7-20(12)2)11-16-18-15(19-22-16)9-13-5-3-4-6-14(13)17/h3-6,12H,7-11H2,1-2H3
InChIKeyOIGYLZZOYIKDBP-UHFFFAOYSA-N
MW304.37 g/mol
LogP1.94
Rot. Bonds4

About 5-[(3,4-dimethylpiperazin-1-yl)methyl]-3-[(2-fluorophenyl)methyl]-1,2,4-oxadiazole

5-[(3,4-dimethylpiperazin-1-yl)methyl]-3-[(2-fluorophenyl)methyl]-1,2,4-oxadiazole (PubChem CID 45233932) has the molecular formula C16H21FN4O and a molecular weight of 304.37 g/mol. Its IUPAC name is 5-[(3,4-dimethylpiperazin-1-yl)methyl]-3-[(2-fluorophenyl)methyl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-[(3,4-dimethylpiperazin-1-yl)methyl]-3-[(2-fluorophenyl)methyl]-1,2,4-oxadiazole
PubChem CID45233932
Molecular FormulaC16H21FN4O
Molecular Weight304.37 g/mol
Exact Mass304.17
IUPAC Name5-[(3,4-dimethylpiperazin-1-yl)methyl]-3-[(2-fluorophenyl)methyl]-1,2,4-oxadiazole
SMILESCC1CN(Cc2nc(Cc3ccccc3F)no2)CCN1C
InChIInChI=1S/C16H21FN4O/c1-12-10-21(8-7-20(12)2)11-16-18-15(19-22-16)9-13-5-3-4-6-14(13)17/h3-6,12H,7-11H2,1-2H3
InChIKeyOIGYLZZOYIKDBP-UHFFFAOYSA-N
XLogP1.94
TPSA45.40 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.37
LogP ≤ 51.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[(3,4-dimethylpiperazin-1-yl)methyl]-3-[(2-fluorophenyl)methyl]-1,2,4-oxadiazole?
The IUPAC name of 5-[(3,4-dimethylpiperazin-1-yl)methyl]-3-[(2-fluorophenyl)methyl]-1,2,4-oxadiazole (CID 45233932) is 5-[(3,4-dimethylpiperazin-1-yl)methyl]-3-[(2-fluorophenyl)methyl]-1,2,4-oxadiazole.
What is the SMILES notation for 5-[(3,4-dimethylpiperazin-1-yl)methyl]-3-[(2-fluorophenyl)methyl]-1,2,4-oxadiazole?
The canonical SMILES for 5-[(3,4-dimethylpiperazin-1-yl)methyl]-3-[(2-fluorophenyl)methyl]-1,2,4-oxadiazole is CC1CN(Cc2nc(Cc3ccccc3F)no2)CCN1C.
What is the InChIKey of 5-[(3,4-dimethylpiperazin-1-yl)methyl]-3-[(2-fluorophenyl)methyl]-1,2,4-oxadiazole?
The InChIKey is OIGYLZZOYIKDBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21FN4O/c1-12-10-21(8-7-20(12)2)11-16-18-15(19-22-16)9-13-5-3-4-6-14(13)17/h3-6,12H,7-11H2,1-2H3.
What are the key properties of 5-[(3,4-dimethylpiperazin-1-yl)methyl]-3-[(2-fluorophenyl)methyl]-1,2,4-oxadiazole?
5-[(3,4-dimethylpiperazin-1-yl)methyl]-3-[(2-fluorophenyl)methyl]-1,2,4-oxadiazole has a molecular weight of 304.37 g/mol, XLogP of 1.94, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3,4-dimethylpiperazin-1-yl)methyl]-3-[(2-fluorophenyl)methyl]-1,2,4-oxadiazole is sourced from PubChem (CID 45233932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).