2-(4,5-dihydro-1,3-oxazol-2-yl)ethaneperoxoic acid

C5H7NO4 — CID 22924315

IUPAC2-(4,5-dihydro-1,3-oxazol-2-yl)ethaneperoxoic acid
SMILESO=C(CC1=NCCO1)OO
InChIInChI=1S/C5H7NO4/c7-5(10-8)3-4-6-1-2-9-4/h8H,1-3H2
InChIKeyNYVZTAFQMKORFP-UHFFFAOYSA-N
MW145.11 g/mol
LogP-0.18
Rot. Bonds2

About 2-(4,5-dihydro-1,3-oxazol-2-yl)ethaneperoxoic acid

2-(4,5-dihydro-1,3-oxazol-2-yl)ethaneperoxoic acid (PubChem CID 22924315) has the molecular formula C5H7NO4 and a molecular weight of 145.11 g/mol. Its IUPAC name is 2-(4,5-dihydro-1,3-oxazol-2-yl)ethaneperoxoic acid.

Molecular Properties

Compound Name2-(4,5-dihydro-1,3-oxazol-2-yl)ethaneperoxoic acid
PubChem CID22924315
Molecular FormulaC5H7NO4
Molecular Weight145.11 g/mol
Exact Mass145.04
IUPAC Name2-(4,5-dihydro-1,3-oxazol-2-yl)ethaneperoxoic acid
SMILESO=C(CC1=NCCO1)OO
InChIInChI=1S/C5H7NO4/c7-5(10-8)3-4-6-1-2-9-4/h8H,1-3H2
InChIKeyNYVZTAFQMKORFP-UHFFFAOYSA-N
XLogP-0.18
TPSA68.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.11
LogP ≤ 5-0.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}

Analyze 2-(4,5-dihydro-1,3-oxazol-2-yl)ethaneperoxoic acid 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 2-(4,5-dihydro-1,3-oxazol-2-yl)ethaneperoxoic acid?
The IUPAC name of 2-(4,5-dihydro-1,3-oxazol-2-yl)ethaneperoxoic acid (CID 22924315) is 2-(4,5-dihydro-1,3-oxazol-2-yl)ethaneperoxoic acid.
What is the SMILES notation for 2-(4,5-dihydro-1,3-oxazol-2-yl)ethaneperoxoic acid?
The canonical SMILES for 2-(4,5-dihydro-1,3-oxazol-2-yl)ethaneperoxoic acid is O=C(CC1=NCCO1)OO.
What is the InChIKey of 2-(4,5-dihydro-1,3-oxazol-2-yl)ethaneperoxoic acid?
The InChIKey is NYVZTAFQMKORFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7NO4/c7-5(10-8)3-4-6-1-2-9-4/h8H,1-3H2.
What are the key properties of 2-(4,5-dihydro-1,3-oxazol-2-yl)ethaneperoxoic acid?
2-(4,5-dihydro-1,3-oxazol-2-yl)ethaneperoxoic acid has a molecular weight of 145.11 g/mol, XLogP of -0.18, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,5-dihydro-1,3-oxazol-2-yl)ethaneperoxoic acid is sourced from PubChem (CID 22924315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).