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

C16H22N4O — CID 165431847

IUPAC3-[[4-(2,4-dimethylphenyl)piperazin-1-yl]methyl]-5-methyl-1,2,4-oxadiazole
SMILESCc1ccc(N2CCN(Cc3noc(C)n3)CC2)c(C)c1
InChIInChI=1S/C16H22N4O/c1-12-4-5-15(13(2)10-12)20-8-6-19(7-9-20)11-16-17-14(3)21-18-16/h4-5,10H,6-9,11H2,1-3H3
InChIKeyFTCRBYMQXINWOX-UHFFFAOYSA-N
MW286.38 g/mol
LogP2.32
Rot. Bonds3

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

3-[[4-(2,4-dimethylphenyl)piperazin-1-yl]methyl]-5-methyl-1,2,4-oxadiazole (PubChem CID 165431847) has the molecular formula C16H22N4O and a molecular weight of 286.38 g/mol. Its IUPAC name is 3-[[4-(2,4-dimethylphenyl)piperazin-1-yl]methyl]-5-methyl-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-[[4-(2,4-dimethylphenyl)piperazin-1-yl]methyl]-5-methyl-1,2,4-oxadiazole
PubChem CID165431847
Molecular FormulaC16H22N4O
Molecular Weight286.38 g/mol
Exact Mass286.18
IUPAC Name3-[[4-(2,4-dimethylphenyl)piperazin-1-yl]methyl]-5-methyl-1,2,4-oxadiazole
SMILESCc1ccc(N2CCN(Cc3noc(C)n3)CC2)c(C)c1
InChIInChI=1S/C16H22N4O/c1-12-4-5-15(13(2)10-12)20-8-6-19(7-9-20)11-16-17-14(3)21-18-16/h4-5,10H,6-9,11H2,1-3H3
InChIKeyFTCRBYMQXINWOX-UHFFFAOYSA-N
XLogP2.32
TPSA45.40 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 52.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-[[4-(2-chloro-4-fluorophenyl)piperazin-1-yl]methyl]-5-methyl-1,2,4-oxadiazole
CID 75433334
3-[[4-(4-bromophenyl)piperazin-1-yl]methyl]-5-methyl-1,2,4-oxadiazole
CID 165431907
3-[[4-(6-bromoquinolin-4-yl)piperazin-1-yl]methyl]-5-methyl-1,2,4-oxadiazole
CID 133342756
1-[4-[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperazin-1-yl]-3-nitrophenyl]ethanone
CID 56805703
5-methyl-3-[[4-(6-methyl-2-pyrrolidin-1-ylpyrimidin-4-yl)piperazin-1-yl]methyl]-1,2,4-oxadiazole
CID 163349084
3-[[4-(2-tert-butylimidazo[1,2-a]pyridin-6-yl)piperazin-1-yl]methyl]-5-methyl-1,2,4-oxadiazole
CID 171690565
3-[[4-[2-(difluoromethylsulfonyl)phenyl]piperazin-1-yl]methyl]-5-methyl-1,2,4-oxadiazole
CID 133342829
2-methyl-6-[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperazin-1-yl]pyridazin-3-one
CID 166604581
1-(2-chloroethyl)-4-(2,4-dimethylphenyl)piperazine
CID 4741820
5-methyl-3-[[4-(6-phenylpyrimidin-4-yl)piperazin-1-yl]methyl]-1,2,4-oxadiazole
CID 139023471
1-[4-(4-chloro-2-methylphenyl)piperazin-1-yl]-2-(5-methyl-1,2,4-oxadiazol-3-yl)ethanone
CID 110608470
N-cyclopropyl-4-[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperazin-1-yl]-3-nitrobenzamide
CID 133342739

Frequently Asked Questions

What is the IUPAC name of 3-[[4-(2,4-dimethylphenyl)piperazin-1-yl]methyl]-5-methyl-1,2,4-oxadiazole?
The IUPAC name of 3-[[4-(2,4-dimethylphenyl)piperazin-1-yl]methyl]-5-methyl-1,2,4-oxadiazole (CID 165431847) is 3-[[4-(2,4-dimethylphenyl)piperazin-1-yl]methyl]-5-methyl-1,2,4-oxadiazole.
What is the SMILES notation for 3-[[4-(2,4-dimethylphenyl)piperazin-1-yl]methyl]-5-methyl-1,2,4-oxadiazole?
The canonical SMILES for 3-[[4-(2,4-dimethylphenyl)piperazin-1-yl]methyl]-5-methyl-1,2,4-oxadiazole is Cc1ccc(N2CCN(Cc3noc(C)n3)CC2)c(C)c1.
What is the InChIKey of 3-[[4-(2,4-dimethylphenyl)piperazin-1-yl]methyl]-5-methyl-1,2,4-oxadiazole?
The InChIKey is FTCRBYMQXINWOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O/c1-12-4-5-15(13(2)10-12)20-8-6-19(7-9-20)11-16-17-14(3)21-18-16/h4-5,10H,6-9,11H2,1-3H3.
What are the key properties of 3-[[4-(2,4-dimethylphenyl)piperazin-1-yl]methyl]-5-methyl-1,2,4-oxadiazole?
3-[[4-(2,4-dimethylphenyl)piperazin-1-yl]methyl]-5-methyl-1,2,4-oxadiazole has a molecular weight of 286.38 g/mol, XLogP of 2.32, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-(2,4-dimethylphenyl)piperazin-1-yl]methyl]-5-methyl-1,2,4-oxadiazole is sourced from PubChem (CID 165431847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).