N-(3-methyl-1,2-oxazol-5-yl)-2-oxo-2-piperazin-1-ylacetamide

C10H14N4O3 — CID 82511012

IUPACN-(3-methyl-1,2-oxazol-5-yl)-2-oxo-2-piperazin-1-ylacetamide
SMILESCc1cc(NC(=O)C(=O)N2CCNCC2)on1
InChIInChI=1S/C10H14N4O3/c1-7-6-8(17-13-7)12-9(15)10(16)14-4-2-11-3-5-14/h6,11H,2-5H2,1H3,(H,12,15)
InChIKeyPQMCZNQQYQQCRG-UHFFFAOYSA-N
MW238.25 g/mol
LogP-0.65
Rot. Bonds1

About N-(3-methyl-1,2-oxazol-5-yl)-2-oxo-2-piperazin-1-ylacetamide

N-(3-methyl-1,2-oxazol-5-yl)-2-oxo-2-piperazin-1-ylacetamide (PubChem CID 82511012) has the molecular formula C10H14N4O3 and a molecular weight of 238.25 g/mol. Its IUPAC name is N-(3-methyl-1,2-oxazol-5-yl)-2-oxo-2-piperazin-1-ylacetamide.

Molecular Properties

Compound NameN-(3-methyl-1,2-oxazol-5-yl)-2-oxo-2-piperazin-1-ylacetamide
PubChem CID82511012
Molecular FormulaC10H14N4O3
Molecular Weight238.25 g/mol
Exact Mass238.11
IUPAC NameN-(3-methyl-1,2-oxazol-5-yl)-2-oxo-2-piperazin-1-ylacetamide
SMILESCc1cc(NC(=O)C(=O)N2CCNCC2)on1
InChIInChI=1S/C10H14N4O3/c1-7-6-8(17-13-7)12-9(15)10(16)14-4-2-11-3-5-14/h6,11H,2-5H2,1H3,(H,12,15)
InChIKeyPQMCZNQQYQQCRG-UHFFFAOYSA-N
XLogP-0.65
TPSA87.47 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.25
LogP ≤ 5-0.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(3-methyl-1,2-oxazol-5-yl)-2-piperazin-1-ylacetamide
CID 43130598
2-[(3-methyl-1,2-oxazol-5-yl)amino]-2-oxoacetic acid
CID 43444914
N-(2,5-dichloro-4-methylphenyl)-2-oxo-2-piperazin-1-ylacetamide
CID 104727779
N-(3,5-dichloro-4-methylphenyl)-2-oxo-2-piperazin-1-ylacetamide
CID 23555753
N-(3-methyl-1,2-oxazol-5-yl)morpholine-4-carboxamide
CID 115603435
N-(2,4-dimethylphenyl)-2-oxo-2-piperazin-1-ylacetamide
CID 28507375
N-(3-methyl-1,2-oxazol-5-yl)carbamate
CID 22936595
3-methyl-N-(3-methyl-1,2-oxazol-5-yl)piperidine-3-carboxamide
CID 63132333
N-(3-methyl-1,2-oxazol-5-yl)-2-morpholin-4-ylacetamide
CID 3045297
N-(3-methyl-1,2-oxazol-5-yl)prop-2-enamide
CID 43616283
2-(1,4-diazepan-1-yl)-N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-2-oxoacetamide
CID 79234327
2-(1,4-diazepan-1-yl)-N-(2,5-difluoro-4-methylphenyl)-2-oxoacetamide
CID 103586827

Frequently Asked Questions

What is the IUPAC name of N-(3-methyl-1,2-oxazol-5-yl)-2-oxo-2-piperazin-1-ylacetamide?
The IUPAC name of N-(3-methyl-1,2-oxazol-5-yl)-2-oxo-2-piperazin-1-ylacetamide (CID 82511012) is N-(3-methyl-1,2-oxazol-5-yl)-2-oxo-2-piperazin-1-ylacetamide.
What is the SMILES notation for N-(3-methyl-1,2-oxazol-5-yl)-2-oxo-2-piperazin-1-ylacetamide?
The canonical SMILES for N-(3-methyl-1,2-oxazol-5-yl)-2-oxo-2-piperazin-1-ylacetamide is Cc1cc(NC(=O)C(=O)N2CCNCC2)on1.
What is the InChIKey of N-(3-methyl-1,2-oxazol-5-yl)-2-oxo-2-piperazin-1-ylacetamide?
The InChIKey is PQMCZNQQYQQCRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N4O3/c1-7-6-8(17-13-7)12-9(15)10(16)14-4-2-11-3-5-14/h6,11H,2-5H2,1H3,(H,12,15).
What are the key properties of N-(3-methyl-1,2-oxazol-5-yl)-2-oxo-2-piperazin-1-ylacetamide?
N-(3-methyl-1,2-oxazol-5-yl)-2-oxo-2-piperazin-1-ylacetamide has a molecular weight of 238.25 g/mol, XLogP of -0.65, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methyl-1,2-oxazol-5-yl)-2-oxo-2-piperazin-1-ylacetamide is sourced from PubChem (CID 82511012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).