4-(6-amino-1,3-benzoxazol-2-yl)-3,3-dimethylpiperazin-2-one

C13H16N4O2 — CID 79892653

IUPAC4-(6-amino-1,3-benzoxazol-2-yl)-3,3-dimethylpiperazin-2-one
SMILESCC1(C)C(=O)NCCN1c1nc2ccc(N)cc2o1
InChIInChI=1S/C13H16N4O2/c1-13(2)11(18)15-5-6-17(13)12-16-9-4-3-8(14)7-10(9)19-12/h3-4,7H,5-6,14H2,1-2H3,(H,15,18)
InChIKeyFKJLWHCWSWASOZ-UHFFFAOYSA-N
MW260.30 g/mol
LogP1.12
Rot. Bonds1

About 4-(6-amino-1,3-benzoxazol-2-yl)-3,3-dimethylpiperazin-2-one

4-(6-amino-1,3-benzoxazol-2-yl)-3,3-dimethylpiperazin-2-one (PubChem CID 79892653) has the molecular formula C13H16N4O2 and a molecular weight of 260.30 g/mol. Its IUPAC name is 4-(6-amino-1,3-benzoxazol-2-yl)-3,3-dimethylpiperazin-2-one.

Molecular Properties

Compound Name4-(6-amino-1,3-benzoxazol-2-yl)-3,3-dimethylpiperazin-2-one
PubChem CID79892653
Molecular FormulaC13H16N4O2
Molecular Weight260.30 g/mol
Exact Mass260.13
IUPAC Name4-(6-amino-1,3-benzoxazol-2-yl)-3,3-dimethylpiperazin-2-one
SMILESCC1(C)C(=O)NCCN1c1nc2ccc(N)cc2o1
InChIInChI=1S/C13H16N4O2/c1-13(2)11(18)15-5-6-17(13)12-16-9-4-3-8(14)7-10(9)19-12/h3-4,7H,5-6,14H2,1-2H3,(H,15,18)
InChIKeyFKJLWHCWSWASOZ-UHFFFAOYSA-N
XLogP1.12
TPSA84.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.30
LogP ≤ 51.12
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

4-(6-amino-2-methylsulfanylpyrimidin-4-yl)-3,3-dimethylpiperazin-2-one
CID 80834891
2-(azepan-1-yl)-1,3-benzoxazol-6-amine
CID 79891137
methyl 5-amino-2-(2,2-dimethyl-3-oxopiperazin-1-yl)benzoate
CID 63601599
4-(5-amino-1,3-benzoxazol-2-yl)piperazin-2-one
CID 79885735
2-(2,2-dimethylpyrrolidin-1-yl)-1,3-benzoxazol-5-amine
CID 79890059
2-(3-azaspiro[5.5]undecan-3-yl)-1,3-benzoxazol-6-amine
CID 79882584
2-(3-methylpyrrolidin-1-yl)-1,3-benzoxazol-6-amine
CID 79893410
2-(2,2-dimethyl-3-oxopiperazin-1-yl)-5-methylbenzaldehyde
CID 114054221
4-(5-aminoquinolin-6-yl)-3,3-dimethylpiperazin-2-one
CID 63596512
4-(3-amino-6-methoxy-2-pyridinyl)-3,3-dimethylpiperazin-2-one
CID 113286554
2-(4-methyl-2,3-dihydroquinoxalin-1-yl)-1,3-benzoxazol-6-amine
CID 79882824
4-(6-amino-1,3-benzoxazol-2-yl)morpholine-3-carboxamide
CID 83094750

Frequently Asked Questions

What is the IUPAC name of 4-(6-amino-1,3-benzoxazol-2-yl)-3,3-dimethylpiperazin-2-one?
The IUPAC name of 4-(6-amino-1,3-benzoxazol-2-yl)-3,3-dimethylpiperazin-2-one (CID 79892653) is 4-(6-amino-1,3-benzoxazol-2-yl)-3,3-dimethylpiperazin-2-one.
What is the SMILES notation for 4-(6-amino-1,3-benzoxazol-2-yl)-3,3-dimethylpiperazin-2-one?
The canonical SMILES for 4-(6-amino-1,3-benzoxazol-2-yl)-3,3-dimethylpiperazin-2-one is CC1(C)C(=O)NCCN1c1nc2ccc(N)cc2o1.
What is the InChIKey of 4-(6-amino-1,3-benzoxazol-2-yl)-3,3-dimethylpiperazin-2-one?
The InChIKey is FKJLWHCWSWASOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O2/c1-13(2)11(18)15-5-6-17(13)12-16-9-4-3-8(14)7-10(9)19-12/h3-4,7H,5-6,14H2,1-2H3,(H,15,18).
What are the key properties of 4-(6-amino-1,3-benzoxazol-2-yl)-3,3-dimethylpiperazin-2-one?
4-(6-amino-1,3-benzoxazol-2-yl)-3,3-dimethylpiperazin-2-one has a molecular weight of 260.30 g/mol, XLogP of 1.12, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-amino-1,3-benzoxazol-2-yl)-3,3-dimethylpiperazin-2-one is sourced from PubChem (CID 79892653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).