4-(5-amino-1,3-benzoxazol-2-yl)piperazin-2-one

C11H12N4O2 — CID 79885735

IUPAC4-(5-amino-1,3-benzoxazol-2-yl)piperazin-2-one
SMILESNc1ccc2oc(N3CCNC(=O)C3)nc2c1
InChIInChI=1S/C11H12N4O2/c12-7-1-2-9-8(5-7)14-11(17-9)15-4-3-13-10(16)6-15/h1-2,5H,3-4,6,12H2,(H,13,16)
InChIKeyJLZNIWABOIARRR-UHFFFAOYSA-N
MW232.24 g/mol
LogP0.35
Rot. Bonds1

About 4-(5-amino-1,3-benzoxazol-2-yl)piperazin-2-one

4-(5-amino-1,3-benzoxazol-2-yl)piperazin-2-one (PubChem CID 79885735) has the molecular formula C11H12N4O2 and a molecular weight of 232.24 g/mol. Its IUPAC name is 4-(5-amino-1,3-benzoxazol-2-yl)piperazin-2-one.

Molecular Properties

Compound Name4-(5-amino-1,3-benzoxazol-2-yl)piperazin-2-one
PubChem CID79885735
Molecular FormulaC11H12N4O2
Molecular Weight232.24 g/mol
Exact Mass232.10
IUPAC Name4-(5-amino-1,3-benzoxazol-2-yl)piperazin-2-one
SMILESNc1ccc2oc(N3CCNC(=O)C3)nc2c1
InChIInChI=1S/C11H12N4O2/c12-7-1-2-9-8(5-7)14-11(17-9)15-4-3-13-10(16)6-15/h1-2,5H,3-4,6,12H2,(H,13,16)
InChIKeyJLZNIWABOIARRR-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'}

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Related Compounds

2-(azocan-1-yl)-1,3-benzoxazol-5-amine
CID 79884635
2-(3-oxopiperazin-1-yl)-1,3-benzoxazole-6-carboxylic acid
CID 116690588
4-(4-amino-1,3-benzoxazol-2-yl)piperazin-2-one
CID 79890454
2-(4,4-dimethylpiperidin-1-yl)-1,3-benzoxazol-5-amine
CID 79890886
2-[4-(trifluoromethyl)piperidin-1-yl]-1,3-benzoxazol-5-amine
CID 79890290
1-[2-[(5-amino-1,3-benzoxazol-2-yl)sulfanyl]ethyl]imidazolidin-2-one
CID 61359248
4-(4-amino-2-fluorophenyl)piperazin-2-one
CID 28972585
2-(4-ethyl-4-methylpiperidin-1-yl)-1,3-benzoxazol-5-amine
CID 79890815
2-(4-propylpiperidin-1-yl)-1,3-benzoxazol-5-amine
CID 79890054
2-(azepan-1-yl)-1,3-benzoxazol-6-amine
CID 79891137
4-[(5-amino-1,3-benzoxazol-2-yl)methyl]-3-methylpiperazin-2-one
CID 79964822
4-(6-amino-1,3-benzoxazol-2-yl)-3,3-dimethylpiperazin-2-one
CID 79892653

Frequently Asked Questions

What is the IUPAC name of 4-(5-amino-1,3-benzoxazol-2-yl)piperazin-2-one?
The IUPAC name of 4-(5-amino-1,3-benzoxazol-2-yl)piperazin-2-one (CID 79885735) is 4-(5-amino-1,3-benzoxazol-2-yl)piperazin-2-one.
What is the SMILES notation for 4-(5-amino-1,3-benzoxazol-2-yl)piperazin-2-one?
The canonical SMILES for 4-(5-amino-1,3-benzoxazol-2-yl)piperazin-2-one is Nc1ccc2oc(N3CCNC(=O)C3)nc2c1.
What is the InChIKey of 4-(5-amino-1,3-benzoxazol-2-yl)piperazin-2-one?
The InChIKey is JLZNIWABOIARRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N4O2/c12-7-1-2-9-8(5-7)14-11(17-9)15-4-3-13-10(16)6-15/h1-2,5H,3-4,6,12H2,(H,13,16).
What are the key properties of 4-(5-amino-1,3-benzoxazol-2-yl)piperazin-2-one?
4-(5-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-(5-amino-1,3-benzoxazol-2-yl)piperazin-2-one is sourced from PubChem (CID 79885735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).