2-bromo-4-methyl-5-(2-piperazin-1-ylethyl)-1,3-oxazole

C10H16BrN3O — CID 84713876

IUPAC2-bromo-4-methyl-5-(2-piperazin-1-ylethyl)-1,3-oxazole
SMILESCc1nc(Br)oc1CCN1CCNCC1
InChIInChI=1S/C10H16BrN3O/c1-8-9(15-10(11)13-8)2-5-14-6-3-12-4-7-14/h12H,2-7H2,1H3
InChIKeyHCQPTNWWVMEFKK-UHFFFAOYSA-N
MW274.16 g/mol
LogP1.19
Rot. Bonds3

About 2-bromo-4-methyl-5-(2-piperazin-1-ylethyl)-1,3-oxazole

2-bromo-4-methyl-5-(2-piperazin-1-ylethyl)-1,3-oxazole (PubChem CID 84713876) has the molecular formula C10H16BrN3O and a molecular weight of 274.16 g/mol. Its IUPAC name is 2-bromo-4-methyl-5-(2-piperazin-1-ylethyl)-1,3-oxazole.

Molecular Properties

Compound Name2-bromo-4-methyl-5-(2-piperazin-1-ylethyl)-1,3-oxazole
PubChem CID84713876
Molecular FormulaC10H16BrN3O
Molecular Weight274.16 g/mol
Exact Mass273.05
IUPAC Name2-bromo-4-methyl-5-(2-piperazin-1-ylethyl)-1,3-oxazole
SMILESCc1nc(Br)oc1CCN1CCNCC1
InChIInChI=1S/C10H16BrN3O/c1-8-9(15-10(11)13-8)2-5-14-6-3-12-4-7-14/h12H,2-7H2,1H3
InChIKeyHCQPTNWWVMEFKK-UHFFFAOYSA-N
XLogP1.19
TPSA41.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.16
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-chloro-4-methyl-5-(2-piperazin-1-ylethyl)-1,3-oxazole
CID 84693175
3,4-dimethyl-5-(2-piperazin-1-ylethyl)-1,2-oxazole
CID 84780855
1-[2-(5-bromo-2-methylfuran-3-yl)ethyl]piperazine
CID 82667448
4,6-dimethyl-2-(2-piperazin-1-ylethyl)pyrimidine
CID 82472710
1-[2-(1,3-dimethylpyrazol-4-yl)ethyl]piperazine
CID 82611840
1-methyl-7-(2-piperazin-1-ylethyl)isoquinoline
CID 117391822
1-[2-(5-bromo-1-methylpyrazol-3-yl)ethyl]piperazine
CID 83904098
3,5-dimethyl-4-(3-piperazin-1-ylpropyl)-1,2-oxazole
CID 23006360
2-methyl-4-(2-piperazin-1-ylethyl)-1,3-thiazole
CID 82065439
6-bromo-3,4-dimethyl-2-(2-piperazin-1-ylethyl)phenol
CID 117498633
1-[2-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]piperazine
CID 23005910
1-[2-(4-bromo-3-methylphenyl)ethyl]piperazine
CID 82264462

Frequently Asked Questions

What is the IUPAC name of 2-bromo-4-methyl-5-(2-piperazin-1-ylethyl)-1,3-oxazole?
The IUPAC name of 2-bromo-4-methyl-5-(2-piperazin-1-ylethyl)-1,3-oxazole (CID 84713876) is 2-bromo-4-methyl-5-(2-piperazin-1-ylethyl)-1,3-oxazole.
What is the SMILES notation for 2-bromo-4-methyl-5-(2-piperazin-1-ylethyl)-1,3-oxazole?
The canonical SMILES for 2-bromo-4-methyl-5-(2-piperazin-1-ylethyl)-1,3-oxazole is Cc1nc(Br)oc1CCN1CCNCC1.
What is the InChIKey of 2-bromo-4-methyl-5-(2-piperazin-1-ylethyl)-1,3-oxazole?
The InChIKey is HCQPTNWWVMEFKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16BrN3O/c1-8-9(15-10(11)13-8)2-5-14-6-3-12-4-7-14/h12H,2-7H2,1H3.
What are the key properties of 2-bromo-4-methyl-5-(2-piperazin-1-ylethyl)-1,3-oxazole?
2-bromo-4-methyl-5-(2-piperazin-1-ylethyl)-1,3-oxazole has a molecular weight of 274.16 g/mol, XLogP of 1.19, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-4-methyl-5-(2-piperazin-1-ylethyl)-1,3-oxazole is sourced from PubChem (CID 84713876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).