2-(4-methylpiperazin-1-yl)-1,3-oxazole-5-carboximidamide

C9H15N5O — CID 112713721

IUPAC2-(4-methylpiperazin-1-yl)-1,3-oxazole-5-carboximidamide
SMILES[H]/N=C(\N)c1cnc(N2CCN(C)CC2)o1
InChIInChI=1S/C9H15N5O/c1-13-2-4-14(5-3-13)9-12-6-7(15-9)8(10)11/h6H,2-5H2,1H3,(H3,10,11)
InChIKeyPVOMJEPHEJRQGK-UHFFFAOYSA-N
MW209.25 g/mol
LogP-0.29
Rot. Bonds2

About 2-(4-methylpiperazin-1-yl)-1,3-oxazole-5-carboximidamide

2-(4-methylpiperazin-1-yl)-1,3-oxazole-5-carboximidamide (PubChem CID 112713721) has the molecular formula C9H15N5O and a molecular weight of 209.25 g/mol. Its IUPAC name is 2-(4-methylpiperazin-1-yl)-1,3-oxazole-5-carboximidamide.

Molecular Properties

Compound Name2-(4-methylpiperazin-1-yl)-1,3-oxazole-5-carboximidamide
PubChem CID112713721
Molecular FormulaC9H15N5O
Molecular Weight209.25 g/mol
Exact Mass209.13
IUPAC Name2-(4-methylpiperazin-1-yl)-1,3-oxazole-5-carboximidamide
SMILES[H]/N=C(\N)c1cnc(N2CCN(C)CC2)o1
InChIInChI=1S/C9H15N5O/c1-13-2-4-14(5-3-13)9-12-6-7(15-9)8(10)11/h6H,2-5H2,1H3,(H3,10,11)
InChIKeyPVOMJEPHEJRQGK-UHFFFAOYSA-N
XLogP-0.29
TPSA82.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.25
LogP ≤ 5-0.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze 2-(4-methylpiperazin-1-yl)-1,3-oxazole-5-carboximidamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(4-methylpiperazin-1-yl)-1,3-oxazole-5-carboximidamide?
The IUPAC name of 2-(4-methylpiperazin-1-yl)-1,3-oxazole-5-carboximidamide (CID 112713721) is 2-(4-methylpiperazin-1-yl)-1,3-oxazole-5-carboximidamide.
What is the SMILES notation for 2-(4-methylpiperazin-1-yl)-1,3-oxazole-5-carboximidamide?
The canonical SMILES for 2-(4-methylpiperazin-1-yl)-1,3-oxazole-5-carboximidamide is [H]/N=C(\N)c1cnc(N2CCN(C)CC2)o1.
What is the InChIKey of 2-(4-methylpiperazin-1-yl)-1,3-oxazole-5-carboximidamide?
The InChIKey is PVOMJEPHEJRQGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N5O/c1-13-2-4-14(5-3-13)9-12-6-7(15-9)8(10)11/h6H,2-5H2,1H3,(H3,10,11).
What are the key properties of 2-(4-methylpiperazin-1-yl)-1,3-oxazole-5-carboximidamide?
2-(4-methylpiperazin-1-yl)-1,3-oxazole-5-carboximidamide has a molecular weight of 209.25 g/mol, XLogP of -0.29, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylpiperazin-1-yl)-1,3-oxazole-5-carboximidamide is sourced from PubChem (CID 112713721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).