4-methyl-5-piperazin-1-yl-1,2-oxazole

C8H13N3O — CID 84765247

IUPAC4-methyl-5-piperazin-1-yl-1,2-oxazole
SMILESCc1cnoc1N1CCNCC1
InChIInChI=1S/C8H13N3O/c1-7-6-10-12-8(7)11-4-2-9-3-5-11/h6,9H,2-5H2,1H3
InChIKeyJDCPLUFKVQZNAX-UHFFFAOYSA-N
MW167.21 g/mol
LogP0.39
Rot. Bonds1

About 4-methyl-5-piperazin-1-yl-1,2-oxazole

4-methyl-5-piperazin-1-yl-1,2-oxazole (PubChem CID 84765247) has the molecular formula C8H13N3O and a molecular weight of 167.21 g/mol. Its IUPAC name is 4-methyl-5-piperazin-1-yl-1,2-oxazole.

Molecular Properties

Compound Name4-methyl-5-piperazin-1-yl-1,2-oxazole
PubChem CID84765247
Molecular FormulaC8H13N3O
Molecular Weight167.21 g/mol
Exact Mass167.11
IUPAC Name4-methyl-5-piperazin-1-yl-1,2-oxazole
SMILESCc1cnoc1N1CCNCC1
InChIInChI=1S/C8H13N3O/c1-7-6-10-12-8(7)11-4-2-9-3-5-11/h6,9H,2-5H2,1H3
InChIKeyJDCPLUFKVQZNAX-UHFFFAOYSA-N
XLogP0.39
TPSA41.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.21
LogP ≤ 50.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 22491685
1-(3,5-dimethyl-4-pyridinyl)piperazine
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CID 66336168
6-methyl-3-piperazin-1-yl-2,1-benzoxazole
CID 84682811
5-piperazin-1-yl-1,2-benzoxazole
CID 82608582
1-(3-methyl-4-pyridinyl)piperazine;dihydrochloride
CID 154825583
5-(2,2-dimethylpropyl)-2-piperazin-1-ylpyrimidine
CID 117224212
5-(4-methoxyphenyl)-4-piperazin-1-yl-1,2-oxazole
CID 117209973
2-methyl-5-piperazin-1-yl-1,3-oxazole-4-carboxylic acid
CID 165440819
1-(3-methyl-2-pyridinyl)piperazine
CID 2760057
5-methyl-2-piperazin-1-ylpyrimidine;2-methylpropane
CID 145233053
5-methyl-4-piperazin-1-yl-1,3-oxazole
CID 96737858

Frequently Asked Questions

What is the IUPAC name of 4-methyl-5-piperazin-1-yl-1,2-oxazole?
The IUPAC name of 4-methyl-5-piperazin-1-yl-1,2-oxazole (CID 84765247) is 4-methyl-5-piperazin-1-yl-1,2-oxazole.
What is the SMILES notation for 4-methyl-5-piperazin-1-yl-1,2-oxazole?
The canonical SMILES for 4-methyl-5-piperazin-1-yl-1,2-oxazole is Cc1cnoc1N1CCNCC1.
What is the InChIKey of 4-methyl-5-piperazin-1-yl-1,2-oxazole?
The InChIKey is JDCPLUFKVQZNAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O/c1-7-6-10-12-8(7)11-4-2-9-3-5-11/h6,9H,2-5H2,1H3.
What are the key properties of 4-methyl-5-piperazin-1-yl-1,2-oxazole?
4-methyl-5-piperazin-1-yl-1,2-oxazole has a molecular weight of 167.21 g/mol, XLogP of 0.39, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-5-piperazin-1-yl-1,2-oxazole is sourced from PubChem (CID 84765247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).