2-[[4-(2,5-dimethylphenyl)piperazin-1-yl]-phenylmethyl]-5-phenyl-1,3,4-oxadiazole

C27H28N4O — CID 15990110

IUPAC2-[[4-(2,5-dimethylphenyl)piperazin-1-yl]-phenylmethyl]-5-phenyl-1,3,4-oxadiazole
SMILESCc1ccc(C)c(N2CCN(C(c3ccccc3)c3nnc(-c4ccccc4)o3)CC2)c1
InChIInChI=1S/C27H28N4O/c1-20-13-14-21(2)24(19-20)30-15-17-31(18-16-30)25(22-9-5-3-6-10-22)27-29-28-26(32-27)23-11-7-4-8-12-23/h3-14,19,25H,15-18H2,1-2H3
InChIKeyNSJLZOXQOTUFIH-UHFFFAOYSA-N
MW424.55 g/mol
LogP5.27
Rot. Bonds5

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

2-[[4-(2,5-dimethylphenyl)piperazin-1-yl]-phenylmethyl]-5-phenyl-1,3,4-oxadiazole (PubChem CID 15990110) has the molecular formula C27H28N4O and a molecular weight of 424.55 g/mol. Its IUPAC name is 2-[[4-(2,5-dimethylphenyl)piperazin-1-yl]-phenylmethyl]-5-phenyl-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-[[4-(2,5-dimethylphenyl)piperazin-1-yl]-phenylmethyl]-5-phenyl-1,3,4-oxadiazole
PubChem CID15990110
Molecular FormulaC27H28N4O
Molecular Weight424.55 g/mol
Exact Mass424.23
IUPAC Name2-[[4-(2,5-dimethylphenyl)piperazin-1-yl]-phenylmethyl]-5-phenyl-1,3,4-oxadiazole
SMILESCc1ccc(C)c(N2CCN(C(c3ccccc3)c3nnc(-c4ccccc4)o3)CC2)c1
InChIInChI=1S/C27H28N4O/c1-20-13-14-21(2)24(19-20)30-15-17-31(18-16-30)25(22-9-5-3-6-10-22)27-29-28-26(32-27)23-11-7-4-8-12-23/h3-14,19,25H,15-18H2,1-2H3
InChIKeyNSJLZOXQOTUFIH-UHFFFAOYSA-N
XLogP5.27
TPSA45.40 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500424.55
LogP ≤ 55.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-[[4-(2,5-dimethylphenyl)piperazin-1-yl]-phenylmethyl]-5-phenyl-1,3,4-oxadiazole with MolForge

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

Launch Full Analysis

Related Compounds

4-[2-methyl-5-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-N-[3-(4-methylpiperazin-1-yl)phenyl]benzamide
CID 25093461
Piperazine, 1-phenyl-4-((5-phenyl-1,3,4-oxadiazol-2-yl)methyl)-
CID 3080234
2,3-dimethyl-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]aniline
CID 4665154
2-[[3-Methyl-4-(3-methylphenyl)piperazin-1-yl]methyl]-5-(2-methylphenyl)-1,3,4-oxadiazole
CID 15990242
N,N-Diethyl-2-{4-[2-fluoro-4-(5-isopropyl-[1,3,4]oxadiazol-2-yl)-phenyl]-piperazin-1-yl}-2-phenyl-acetamide
CID 42647272
1-[(5-Phenyl-1,3,4-oxadiazol-2-yl)methyl]-1,2,3,4-tetrahydroquinoline
CID 2243296
N-{[5-(3-bromophenyl)-1,3,4-oxadiazol-2-yl]methyl}-N,3-dimethylaniline
CID 6625048
1-(3-Chlorophenyl)-4-[(4-fluorophenyl)(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]piperazine
CID 16026363
1-Diphenylmethyl-4-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]piperazine
CID 16195156
2-(3,4-dihydro-2H-quinolin-1-ylmethyl)-5-(4-fluorophenyl)-1,3,4-oxadiazole
CID 31337835
N-[4-methyl-3-[2-methyl-4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]phenyl]-4-[(4-methylpiperazin-1-yl)methyl]benzamide
CID 44580449
2-(3,4-dihydro-2H-quinolin-1-ylmethyl)-5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazole
CID 145969783

Frequently Asked Questions

What is the IUPAC name of 2-[[4-(2,5-dimethylphenyl)piperazin-1-yl]-phenylmethyl]-5-phenyl-1,3,4-oxadiazole?
The IUPAC name of 2-[[4-(2,5-dimethylphenyl)piperazin-1-yl]-phenylmethyl]-5-phenyl-1,3,4-oxadiazole (CID 15990110) is 2-[[4-(2,5-dimethylphenyl)piperazin-1-yl]-phenylmethyl]-5-phenyl-1,3,4-oxadiazole.
What is the SMILES notation for 2-[[4-(2,5-dimethylphenyl)piperazin-1-yl]-phenylmethyl]-5-phenyl-1,3,4-oxadiazole?
The canonical SMILES for 2-[[4-(2,5-dimethylphenyl)piperazin-1-yl]-phenylmethyl]-5-phenyl-1,3,4-oxadiazole is Cc1ccc(C)c(N2CCN(C(c3ccccc3)c3nnc(-c4ccccc4)o3)CC2)c1.
What is the InChIKey of 2-[[4-(2,5-dimethylphenyl)piperazin-1-yl]-phenylmethyl]-5-phenyl-1,3,4-oxadiazole?
The InChIKey is NSJLZOXQOTUFIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28N4O/c1-20-13-14-21(2)24(19-20)30-15-17-31(18-16-30)25(22-9-5-3-6-10-22)27-29-28-26(32-27)23-11-7-4-8-12-23/h3-14,19,25H,15-18H2,1-2H3.
What are the key properties of 2-[[4-(2,5-dimethylphenyl)piperazin-1-yl]-phenylmethyl]-5-phenyl-1,3,4-oxadiazole?
2-[[4-(2,5-dimethylphenyl)piperazin-1-yl]-phenylmethyl]-5-phenyl-1,3,4-oxadiazole has a molecular weight of 424.55 g/mol, XLogP of 5.27, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(2,5-dimethylphenyl)piperazin-1-yl]-phenylmethyl]-5-phenyl-1,3,4-oxadiazole is sourced from PubChem (CID 15990110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).