4-(4-amino-1,3-benzoxazol-2-yl)piperazin-2-one

C11H12N4O2 — CID 79890454

IUPAC4-(4-amino-1,3-benzoxazol-2-yl)piperazin-2-one
SMILESNc1cccc2oc(N3CCNC(=O)C3)nc12
InChIInChI=1S/C11H12N4O2/c12-7-2-1-3-8-10(7)14-11(17-8)15-5-4-13-9(16)6-15/h1-3H,4-6,12H2,(H,13,16)
InChIKeyZXHIJSFABDPWFV-UHFFFAOYSA-N
MW232.24 g/mol
LogP0.35
Rot. Bonds1

About 4-(4-amino-1,3-benzoxazol-2-yl)piperazin-2-one

4-(4-amino-1,3-benzoxazol-2-yl)piperazin-2-one (PubChem CID 79890454) has the molecular formula C11H12N4O2 and a molecular weight of 232.24 g/mol. Its IUPAC name is 4-(4-amino-1,3-benzoxazol-2-yl)piperazin-2-one.

Molecular Properties

Compound Name4-(4-amino-1,3-benzoxazol-2-yl)piperazin-2-one
PubChem CID79890454
Molecular FormulaC11H12N4O2
Molecular Weight232.24 g/mol
Exact Mass232.10
IUPAC Name4-(4-amino-1,3-benzoxazol-2-yl)piperazin-2-one
SMILESNc1cccc2oc(N3CCNC(=O)C3)nc12
InChIInChI=1S/C11H12N4O2/c12-7-2-1-3-8-10(7)14-11(17-8)15-5-4-13-9(16)6-15/h1-3H,4-6,12H2,(H,13,16)
InChIKeyZXHIJSFABDPWFV-UHFFFAOYSA-N
XLogP0.35
TPSA84.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.24
LogP ≤ 50.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 4-(4-amino-1,3-benzoxazol-2-yl)piperazin-2-one 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 4-(4-amino-1,3-benzoxazol-2-yl)piperazin-2-one?
The IUPAC name of 4-(4-amino-1,3-benzoxazol-2-yl)piperazin-2-one (CID 79890454) is 4-(4-amino-1,3-benzoxazol-2-yl)piperazin-2-one.
What is the SMILES notation for 4-(4-amino-1,3-benzoxazol-2-yl)piperazin-2-one?
The canonical SMILES for 4-(4-amino-1,3-benzoxazol-2-yl)piperazin-2-one is Nc1cccc2oc(N3CCNC(=O)C3)nc12.
What is the InChIKey of 4-(4-amino-1,3-benzoxazol-2-yl)piperazin-2-one?
The InChIKey is ZXHIJSFABDPWFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N4O2/c12-7-2-1-3-8-10(7)14-11(17-8)15-5-4-13-9(16)6-15/h1-3H,4-6,12H2,(H,13,16).
What are the key properties of 4-(4-amino-1,3-benzoxazol-2-yl)piperazin-2-one?
4-(4-amino-1,3-benzoxazol-2-yl)piperazin-2-one has a molecular weight of 232.24 g/mol, XLogP of 0.35, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-amino-1,3-benzoxazol-2-yl)piperazin-2-one is sourced from PubChem (CID 79890454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).