oxaziridine-3-carboxamide

C2H4N2O2 — CID 174504265

IUPACoxaziridine-3-carboxamide
SMILESNC(=O)C1NO1
InChIInChI=1S/C2H4N2O2/c3-1(5)2-4-6-2/h2,4H,(H2,3,5)
InChIKeyKFXUTPGIWLOZMC-UHFFFAOYSA-N
MW88.07 g/mol
LogP-1.67
Rot. Bonds1

About oxaziridine-3-carboxamide

oxaziridine-3-carboxamide (PubChem CID 174504265) has the molecular formula C2H4N2O2 and a molecular weight of 88.07 g/mol. Its IUPAC name is oxaziridine-3-carboxamide.

Molecular Properties

Compound Nameoxaziridine-3-carboxamide
PubChem CID174504265
Molecular FormulaC2H4N2O2
Molecular Weight88.07 g/mol
Exact Mass88.03
IUPAC Nameoxaziridine-3-carboxamide
SMILESNC(=O)C1NO1
InChIInChI=1S/C2H4N2O2/c3-1(5)2-4-6-2/h2,4H,(H2,3,5)
InChIKeyKFXUTPGIWLOZMC-UHFFFAOYSA-N
XLogP-1.67
TPSA77.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50088.07
LogP ≤ 5-1.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of oxaziridine-3-carboxamide?
The IUPAC name of oxaziridine-3-carboxamide (CID 174504265) is oxaziridine-3-carboxamide.
What is the SMILES notation for oxaziridine-3-carboxamide?
The canonical SMILES for oxaziridine-3-carboxamide is NC(=O)C1NO1.
What is the InChIKey of oxaziridine-3-carboxamide?
The InChIKey is KFXUTPGIWLOZMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H4N2O2/c3-1(5)2-4-6-2/h2,4H,(H2,3,5).
What are the key properties of oxaziridine-3-carboxamide?
oxaziridine-3-carboxamide has a molecular weight of 88.07 g/mol, XLogP of -1.67, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for oxaziridine-3-carboxamide is sourced from PubChem (CID 174504265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).