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

C14H17BrN4O — CID 165431907

IUPAC3-[[4-(4-bromophenyl)piperazin-1-yl]methyl]-5-methyl-1,2,4-oxadiazole
SMILESCc1nc(CN2CCN(c3ccc(Br)cc3)CC2)no1
InChIInChI=1S/C14H17BrN4O/c1-11-16-14(17-20-11)10-18-6-8-19(9-7-18)13-4-2-12(15)3-5-13/h2-5H,6-10H2,1H3
InChIKeyGBCBUWVWIABESY-UHFFFAOYSA-N
MW337.22 g/mol
LogP2.46
Rot. Bonds3

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

3-[[4-(4-bromophenyl)piperazin-1-yl]methyl]-5-methyl-1,2,4-oxadiazole (PubChem CID 165431907) has the molecular formula C14H17BrN4O and a molecular weight of 337.22 g/mol. Its IUPAC name is 3-[[4-(4-bromophenyl)piperazin-1-yl]methyl]-5-methyl-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-[[4-(4-bromophenyl)piperazin-1-yl]methyl]-5-methyl-1,2,4-oxadiazole
PubChem CID165431907
Molecular FormulaC14H17BrN4O
Molecular Weight337.22 g/mol
Exact Mass336.06
IUPAC Name3-[[4-(4-bromophenyl)piperazin-1-yl]methyl]-5-methyl-1,2,4-oxadiazole
SMILESCc1nc(CN2CCN(c3ccc(Br)cc3)CC2)no1
InChIInChI=1S/C14H17BrN4O/c1-11-16-14(17-20-11)10-18-6-8-19(9-7-18)13-4-2-12(15)3-5-13/h2-5H,6-10H2,1H3
InChIKeyGBCBUWVWIABESY-UHFFFAOYSA-N
XLogP2.46
TPSA45.40 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.22
LogP ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-[[4-(6-bromoquinolin-4-yl)piperazin-1-yl]methyl]-5-methyl-1,2,4-oxadiazole
CID 133342756
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-(2,4-dimethylphenyl)piperazin-1-yl]methyl]-5-methyl-1,2,4-oxadiazole
CID 165431847
3-methyl-7-[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperazin-1-yl]quinazolin-4-one
CID 126896916
3-[[4-(2-chloro-4-fluorophenyl)piperazin-1-yl]methyl]-5-methyl-1,2,4-oxadiazole
CID 75433334
2-methyl-6-[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperazin-1-yl]pyridazin-3-one
CID 166604581
5-methyl-3-[[4-(3-methylbutyl)piperazin-1-yl]methyl]-1,2,4-oxadiazole
CID 87014214
5-bromo-N-methyl-N-[1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-4-yl]pyrimidin-2-amine
CID 171328197
5-methyl-3-[[4-(6-methyl-2-pyrrolidin-1-ylpyrimidin-4-yl)piperazin-1-yl]methyl]-1,2,4-oxadiazole
CID 163349084
5-methyl-3-[[4-[(2S)-2-phenylpropyl]piperazin-1-yl]methyl]-1,2,4-oxadiazole
CID 99449132
5-methyl-3-[[4-[(1R)-1-phenylethyl]piperazin-1-yl]methyl]-1,2,4-oxadiazole
CID 97317023
3-[(4-bromophenyl)methyl]-5-methyl-1,2,4-oxadiazole
CID 23404141

Frequently Asked Questions

What is the IUPAC name of 3-[[4-(4-bromophenyl)piperazin-1-yl]methyl]-5-methyl-1,2,4-oxadiazole?
The IUPAC name of 3-[[4-(4-bromophenyl)piperazin-1-yl]methyl]-5-methyl-1,2,4-oxadiazole (CID 165431907) is 3-[[4-(4-bromophenyl)piperazin-1-yl]methyl]-5-methyl-1,2,4-oxadiazole.
What is the SMILES notation for 3-[[4-(4-bromophenyl)piperazin-1-yl]methyl]-5-methyl-1,2,4-oxadiazole?
The canonical SMILES for 3-[[4-(4-bromophenyl)piperazin-1-yl]methyl]-5-methyl-1,2,4-oxadiazole is Cc1nc(CN2CCN(c3ccc(Br)cc3)CC2)no1.
What is the InChIKey of 3-[[4-(4-bromophenyl)piperazin-1-yl]methyl]-5-methyl-1,2,4-oxadiazole?
The InChIKey is GBCBUWVWIABESY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17BrN4O/c1-11-16-14(17-20-11)10-18-6-8-19(9-7-18)13-4-2-12(15)3-5-13/h2-5H,6-10H2,1H3.
What are the key properties of 3-[[4-(4-bromophenyl)piperazin-1-yl]methyl]-5-methyl-1,2,4-oxadiazole?
3-[[4-(4-bromophenyl)piperazin-1-yl]methyl]-5-methyl-1,2,4-oxadiazole has a molecular weight of 337.22 g/mol, XLogP of 2.46, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-(4-bromophenyl)piperazin-1-yl]methyl]-5-methyl-1,2,4-oxadiazole is sourced from PubChem (CID 165431907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).