2-(4-methylpiperazin-2-yl)-1,3-oxazole

C8H13N3O — CID 69278640

IUPAC2-(4-methylpiperazin-2-yl)-1,3-oxazole
SMILESCN1CCNC(c2ncco2)C1
InChIInChI=1S/C8H13N3O/c1-11-4-2-9-7(6-11)8-10-3-5-12-8/h3,5,7,9H,2,4,6H2,1H3
InChIKeyFCAFEKQDGSGXBV-UHFFFAOYSA-N
MW167.21 g/mol
LogP0.25
Rot. Bonds1

About 2-(4-methylpiperazin-2-yl)-1,3-oxazole

2-(4-methylpiperazin-2-yl)-1,3-oxazole (PubChem CID 69278640) has the molecular formula C8H13N3O and a molecular weight of 167.21 g/mol. Its IUPAC name is 2-(4-methylpiperazin-2-yl)-1,3-oxazole.

Molecular Properties

Compound Name2-(4-methylpiperazin-2-yl)-1,3-oxazole
PubChem CID69278640
Molecular FormulaC8H13N3O
Molecular Weight167.21 g/mol
Exact Mass167.11
IUPAC Name2-(4-methylpiperazin-2-yl)-1,3-oxazole
SMILESCN1CCNC(c2ncco2)C1
InChIInChI=1S/C8H13N3O/c1-11-4-2-9-7(6-11)8-10-3-5-12-8/h3,5,7,9H,2,4,6H2,1H3
InChIKeyFCAFEKQDGSGXBV-UHFFFAOYSA-N
XLogP0.25
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 ≤ 50.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methylpiperazin-2-yl)-1,3-oxazole?
The IUPAC name of 2-(4-methylpiperazin-2-yl)-1,3-oxazole (CID 69278640) is 2-(4-methylpiperazin-2-yl)-1,3-oxazole.
What is the SMILES notation for 2-(4-methylpiperazin-2-yl)-1,3-oxazole?
The canonical SMILES for 2-(4-methylpiperazin-2-yl)-1,3-oxazole is CN1CCNC(c2ncco2)C1.
What is the InChIKey of 2-(4-methylpiperazin-2-yl)-1,3-oxazole?
The InChIKey is FCAFEKQDGSGXBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O/c1-11-4-2-9-7(6-11)8-10-3-5-12-8/h3,5,7,9H,2,4,6H2,1H3.
What are the key properties of 2-(4-methylpiperazin-2-yl)-1,3-oxazole?
2-(4-methylpiperazin-2-yl)-1,3-oxazole has a molecular weight of 167.21 g/mol, XLogP of 0.25, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylpiperazin-2-yl)-1,3-oxazole is sourced from PubChem (CID 69278640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).