4-(1,3-benzoxazol-2-ylmethyl)piperazin-2-one

C12H13N3O2 — CID 9348529

IUPAC4-(1,3-benzoxazol-2-ylmethyl)piperazin-2-one
SMILESO=C1CN(Cc2nc3ccccc3o2)CCN1
InChIInChI=1S/C12H13N3O2/c16-11-7-15(6-5-13-11)8-12-14-9-3-1-2-4-10(9)17-12/h1-4H,5-8H2,(H,13,16)
InChIKeyRNUZMDLFTBKTRH-UHFFFAOYSA-N
MW231.25 g/mol
LogP0.76
Rot. Bonds2

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

4-(1,3-benzoxazol-2-ylmethyl)piperazin-2-one (PubChem CID 9348529) has the molecular formula C12H13N3O2 and a molecular weight of 231.25 g/mol. Its IUPAC name is 4-(1,3-benzoxazol-2-ylmethyl)piperazin-2-one.

Molecular Properties

Compound Name4-(1,3-benzoxazol-2-ylmethyl)piperazin-2-one
PubChem CID9348529
Molecular FormulaC12H13N3O2
Molecular Weight231.25 g/mol
Exact Mass231.10
IUPAC Name4-(1,3-benzoxazol-2-ylmethyl)piperazin-2-one
SMILESO=C1CN(Cc2nc3ccccc3o2)CCN1
InChIInChI=1S/C12H13N3O2/c16-11-7-15(6-5-13-11)8-12-14-9-3-1-2-4-10(9)17-12/h1-4H,5-8H2,(H,13,16)
InChIKeyRNUZMDLFTBKTRH-UHFFFAOYSA-N
XLogP0.76
TPSA58.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.25
LogP ≤ 50.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-(1,3-benzoxazol-2-ylmethyl)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

Related Compounds

4-[[3-(1,3-benzoxazol-2-yl)phenyl]methyl]piperazin-2-one
CID 70070501
1-[1-(1,3-benzoxazol-2-ylmethyl)piperidin-4-yl]imidazolidin-2-one
CID 56815353
2-[(3-methylpiperazin-1-yl)methyl]-1,3-benzoxazole
CID 65449608
4-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]piperazin-2-one
CID 8962629
2-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-ylmethyl)-1,3-benzoxazole
CID 60917403
6-(1,3-benzoxazol-2-ylmethyl)-2-methylsulfanyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135944778
2-[(3,5-dimethylpiperazin-1-yl)methyl]-1,3-benzoxazole
CID 63873491
3-[2-(3-oxopiperazin-1-yl)ethyl]-1,3-benzoxazol-2-one
CID 34182716
1-(1,3-benzoxazol-2-ylmethyl)piperidine-4-carboxamide
CID 9443132
2-[(3-oxopiperazin-1-yl)methyl]-1-benzofuran-3-carboxylic acid
CID 62274294
2-[(2,3-dimethyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)methyl]-1,3-benzoxazole
CID 86774890
4-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-2-one
CID 37264714

Frequently Asked Questions

What is the IUPAC name of 4-(1,3-benzoxazol-2-ylmethyl)piperazin-2-one?
The IUPAC name of 4-(1,3-benzoxazol-2-ylmethyl)piperazin-2-one (CID 9348529) is 4-(1,3-benzoxazol-2-ylmethyl)piperazin-2-one.
What is the SMILES notation for 4-(1,3-benzoxazol-2-ylmethyl)piperazin-2-one?
The canonical SMILES for 4-(1,3-benzoxazol-2-ylmethyl)piperazin-2-one is O=C1CN(Cc2nc3ccccc3o2)CCN1.
What is the InChIKey of 4-(1,3-benzoxazol-2-ylmethyl)piperazin-2-one?
The InChIKey is RNUZMDLFTBKTRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O2/c16-11-7-15(6-5-13-11)8-12-14-9-3-1-2-4-10(9)17-12/h1-4H,5-8H2,(H,13,16).
What are the key properties of 4-(1,3-benzoxazol-2-ylmethyl)piperazin-2-one?
4-(1,3-benzoxazol-2-ylmethyl)piperazin-2-one has a molecular weight of 231.25 g/mol, XLogP of 0.76, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,3-benzoxazol-2-ylmethyl)piperazin-2-one is sourced from PubChem (CID 9348529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).