5-methyl-4-piperazin-1-yl-1,3-oxazole

C8H13N3O — CID 96737858

IUPAC5-methyl-4-piperazin-1-yl-1,3-oxazole
SMILESCc1ocnc1N1CCNCC1
InChIInChI=1S/C8H13N3O/c1-7-8(10-6-12-7)11-4-2-9-3-5-11/h6,9H,2-5H2,1H3
InChIKeyMTNJVQPFQSNMGN-UHFFFAOYSA-N
MW167.21 g/mol
LogP0.39
Rot. Bonds1

About 5-methyl-4-piperazin-1-yl-1,3-oxazole

5-methyl-4-piperazin-1-yl-1,3-oxazole (PubChem CID 96737858) has the molecular formula C8H13N3O and a molecular weight of 167.21 g/mol. Its IUPAC name is 5-methyl-4-piperazin-1-yl-1,3-oxazole.

Molecular Properties

Compound Name5-methyl-4-piperazin-1-yl-1,3-oxazole
PubChem CID96737858
Molecular FormulaC8H13N3O
Molecular Weight167.21 g/mol
Exact Mass167.11
IUPAC Name5-methyl-4-piperazin-1-yl-1,3-oxazole
SMILESCc1ocnc1N1CCNCC1
InChIInChI=1S/C8H13N3O/c1-7-8(10-6-12-7)11-4-2-9-3-5-11/h6,9H,2-5H2,1H3
InChIKeyMTNJVQPFQSNMGN-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

(5-methyl-1,3-oxazol-4-yl)-piperazin-1-ylmethanone;hydrochloride
CID 130978963
1-(3-methyl-2-pyridinyl)piperazine
CID 2760057
6-methyl-5-piperazin-1-yl-1,2,4-triazine
CID 116823260
7-methyl-4-piperazin-1-ylfuro[3,2-c]pyridine
CID 67125813
4-methyl-6-piperazin-1-ylpyrimidin-5-amine
CID 163648799
3-methyl-4-piperazin-1-yl-1,2,5-oxadiazole;hydrochloride
CID 75530610
8-methyl-1-piperazin-1-ylisoquinoline
CID 82571211
1,3-dimethyl-4-piperazin-1-ylpyrazolo[4,5-c]pyridine
CID 83850463
1-(3-ethyl-5-methyl-2-pyridinyl)piperazine
CID 58484627
1-methyl-4-piperazin-1-ylpyrazolo[5,4-d]pyrimidine
CID 11356415
4-piperazin-1-ylfuro[3,2-c]pyridine;dihydrochloride
CID 134830355
1-(2-methyl-3-pyridinyl)piperazine;dihydrochloride
CID 70057644

Frequently Asked Questions

What is the IUPAC name of 5-methyl-4-piperazin-1-yl-1,3-oxazole?
The IUPAC name of 5-methyl-4-piperazin-1-yl-1,3-oxazole (CID 96737858) is 5-methyl-4-piperazin-1-yl-1,3-oxazole.
What is the SMILES notation for 5-methyl-4-piperazin-1-yl-1,3-oxazole?
The canonical SMILES for 5-methyl-4-piperazin-1-yl-1,3-oxazole is Cc1ocnc1N1CCNCC1.
What is the InChIKey of 5-methyl-4-piperazin-1-yl-1,3-oxazole?
The InChIKey is MTNJVQPFQSNMGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O/c1-7-8(10-6-12-7)11-4-2-9-3-5-11/h6,9H,2-5H2,1H3.
What are the key properties of 5-methyl-4-piperazin-1-yl-1,3-oxazole?
5-methyl-4-piperazin-1-yl-1,3-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 5-methyl-4-piperazin-1-yl-1,3-oxazole is sourced from PubChem (CID 96737858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).