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

C15H19ClN4O — CID 64980170

IUPAC5-(4-chlorophenyl)-3-[(2,5-dimethylpiperazin-1-yl)methyl]-1,2,4-oxadiazole
SMILESCC1CN(Cc2noc(-c3ccc(Cl)cc3)n2)C(C)CN1
InChIInChI=1S/C15H19ClN4O/c1-10-8-20(11(2)7-17-10)9-14-18-15(21-19-14)12-3-5-13(16)6-4-12/h3-6,10-11,17H,7-9H2,1-2H3
InChIKeyFPEJBCMHQKDPOJ-UHFFFAOYSA-N
MW306.80 g/mol
LogP2.57
Rot. Bonds3

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

5-(4-chlorophenyl)-3-[(2,5-dimethylpiperazin-1-yl)methyl]-1,2,4-oxadiazole (PubChem CID 64980170) has the molecular formula C15H19ClN4O and a molecular weight of 306.80 g/mol. Its IUPAC name is 5-(4-chlorophenyl)-3-[(2,5-dimethylpiperazin-1-yl)methyl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-(4-chlorophenyl)-3-[(2,5-dimethylpiperazin-1-yl)methyl]-1,2,4-oxadiazole
PubChem CID64980170
Molecular FormulaC15H19ClN4O
Molecular Weight306.80 g/mol
Exact Mass306.12
IUPAC Name5-(4-chlorophenyl)-3-[(2,5-dimethylpiperazin-1-yl)methyl]-1,2,4-oxadiazole
SMILESCC1CN(Cc2noc(-c3ccc(Cl)cc3)n2)C(C)CN1
InChIInChI=1S/C15H19ClN4O/c1-10-8-20(11(2)7-17-10)9-14-18-15(21-19-14)12-3-5-13(16)6-4-12/h3-6,10-11,17H,7-9H2,1-2H3
InChIKeyFPEJBCMHQKDPOJ-UHFFFAOYSA-N
XLogP2.57
TPSA54.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.80
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 5-(4-chlorophenyl)-3-[(2,5-dimethylpiperazin-1-yl)methyl]-1,2,4-oxadiazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-(4-chlorophenyl)-3-[(2,5-dimethylpiperazin-1-yl)methyl]-1,2,4-oxadiazole?
The IUPAC name of 5-(4-chlorophenyl)-3-[(2,5-dimethylpiperazin-1-yl)methyl]-1,2,4-oxadiazole (CID 64980170) is 5-(4-chlorophenyl)-3-[(2,5-dimethylpiperazin-1-yl)methyl]-1,2,4-oxadiazole.
What is the SMILES notation for 5-(4-chlorophenyl)-3-[(2,5-dimethylpiperazin-1-yl)methyl]-1,2,4-oxadiazole?
The canonical SMILES for 5-(4-chlorophenyl)-3-[(2,5-dimethylpiperazin-1-yl)methyl]-1,2,4-oxadiazole is CC1CN(Cc2noc(-c3ccc(Cl)cc3)n2)C(C)CN1.
What is the InChIKey of 5-(4-chlorophenyl)-3-[(2,5-dimethylpiperazin-1-yl)methyl]-1,2,4-oxadiazole?
The InChIKey is FPEJBCMHQKDPOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClN4O/c1-10-8-20(11(2)7-17-10)9-14-18-15(21-19-14)12-3-5-13(16)6-4-12/h3-6,10-11,17H,7-9H2,1-2H3.
What are the key properties of 5-(4-chlorophenyl)-3-[(2,5-dimethylpiperazin-1-yl)methyl]-1,2,4-oxadiazole?
5-(4-chlorophenyl)-3-[(2,5-dimethylpiperazin-1-yl)methyl]-1,2,4-oxadiazole has a molecular weight of 306.80 g/mol, XLogP of 2.57, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chlorophenyl)-3-[(2,5-dimethylpiperazin-1-yl)methyl]-1,2,4-oxadiazole is sourced from PubChem (CID 64980170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).