2-(2,4-dimethylphenyl)-5-piperazin-1-yl-1,3,4-oxadiazole

C14H18N4O — CID 82483538

IUPAC2-(2,4-dimethylphenyl)-5-piperazin-1-yl-1,3,4-oxadiazole
SMILESCc1ccc(-c2nnc(N3CCNCC3)o2)c(C)c1
InChIInChI=1S/C14H18N4O/c1-10-3-4-12(11(2)9-10)13-16-17-14(19-13)18-7-5-15-6-8-18/h3-4,9,15H,5-8H2,1-2H3
InChIKeyOBFRCIANZQDUIU-UHFFFAOYSA-N
MW258.32 g/mol
LogP1.76
Rot. Bonds2

About 2-(2,4-dimethylphenyl)-5-piperazin-1-yl-1,3,4-oxadiazole

2-(2,4-dimethylphenyl)-5-piperazin-1-yl-1,3,4-oxadiazole (PubChem CID 82483538) has the molecular formula C14H18N4O and a molecular weight of 258.32 g/mol. Its IUPAC name is 2-(2,4-dimethylphenyl)-5-piperazin-1-yl-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-(2,4-dimethylphenyl)-5-piperazin-1-yl-1,3,4-oxadiazole
PubChem CID82483538
Molecular FormulaC14H18N4O
Molecular Weight258.32 g/mol
Exact Mass258.15
IUPAC Name2-(2,4-dimethylphenyl)-5-piperazin-1-yl-1,3,4-oxadiazole
SMILESCc1ccc(-c2nnc(N3CCNCC3)o2)c(C)c1
InChIInChI=1S/C14H18N4O/c1-10-3-4-12(11(2)9-10)13-16-17-14(19-13)18-7-5-15-6-8-18/h3-4,9,15H,5-8H2,1-2H3
InChIKeyOBFRCIANZQDUIU-UHFFFAOYSA-N
XLogP1.76
TPSA54.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-methylphenyl)-5-piperazin-1-yl-1,3,4-oxadiazole
CID 28808850
2-(2-methyl-4-piperazin-1-ylphenyl)-5-(4-piperazin-1-ylphenyl)-1,3,4-oxadiazole
CID 170665199
2-piperazin-1-yl-5-pyridin-4-yl-1,3,4-oxadiazole
CID 28808843
2-[(E)-2-(4-methylphenyl)ethenyl]-5-piperazin-1-yl-1,3,4-oxadiazole
CID 28808900
4-(2,4-dimethylphenyl)-2-piperazin-1-ylpyrimidine
CID 82487669
1-[2-(2,4-dimethylphenyl)-6-[3-(2,4-dimethylphenyl)-2-piperazin-1-ylphenyl]sulfanylphenyl]piperazine
CID 175535293
1-[6-(2,5-dimethylphenyl)pyridazin-3-yl]-1,4-diazepane
CID 56770685
1-[[4-[5-(2,4-dimethylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]piperidin-2-one
CID 167840665
6-methyl-3-piperazin-1-yl-2,1-benzoxazole
CID 84682811
3-methoxy-4-(5-piperidin-1-yl-1,3,4-oxadiazol-2-yl)aniline
CID 96669531
4-methoxy-3-(5-pyrrolidin-1-yl-1,3,4-oxadiazol-2-yl)aniline
CID 82484539
5-chloro-2-(5-piperidin-1-yl-1,3,4-oxadiazol-2-yl)aniline
CID 98022078

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dimethylphenyl)-5-piperazin-1-yl-1,3,4-oxadiazole?
The IUPAC name of 2-(2,4-dimethylphenyl)-5-piperazin-1-yl-1,3,4-oxadiazole (CID 82483538) is 2-(2,4-dimethylphenyl)-5-piperazin-1-yl-1,3,4-oxadiazole.
What is the SMILES notation for 2-(2,4-dimethylphenyl)-5-piperazin-1-yl-1,3,4-oxadiazole?
The canonical SMILES for 2-(2,4-dimethylphenyl)-5-piperazin-1-yl-1,3,4-oxadiazole is Cc1ccc(-c2nnc(N3CCNCC3)o2)c(C)c1.
What is the InChIKey of 2-(2,4-dimethylphenyl)-5-piperazin-1-yl-1,3,4-oxadiazole?
The InChIKey is OBFRCIANZQDUIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O/c1-10-3-4-12(11(2)9-10)13-16-17-14(19-13)18-7-5-15-6-8-18/h3-4,9,15H,5-8H2,1-2H3.
What are the key properties of 2-(2,4-dimethylphenyl)-5-piperazin-1-yl-1,3,4-oxadiazole?
2-(2,4-dimethylphenyl)-5-piperazin-1-yl-1,3,4-oxadiazole has a molecular weight of 258.32 g/mol, XLogP of 1.76, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dimethylphenyl)-5-piperazin-1-yl-1,3,4-oxadiazole is sourced from PubChem (CID 82483538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).