oxaziridine-2-carboximidamide

C2H5N3O — CID 87822276

IUPACoxaziridine-2-carboximidamide
SMILES[H]/N=C(\N)N1CO1
InChIInChI=1S/C2H5N3O/c3-2(4)5-1-6-5/h1H2,(H3,3,4)
InChIKeyMNXJXUSIOKLRJQ-UHFFFAOYSA-N
MW87.08 g/mol
LogP-0.92
Rot. Bonds

About oxaziridine-2-carboximidamide

oxaziridine-2-carboximidamide (PubChem CID 87822276) has the molecular formula C2H5N3O and a molecular weight of 87.08 g/mol. Its IUPAC name is oxaziridine-2-carboximidamide.

Molecular Properties

Compound Nameoxaziridine-2-carboximidamide
PubChem CID87822276
Molecular FormulaC2H5N3O
Molecular Weight87.08 g/mol
Exact Mass87.04
IUPAC Nameoxaziridine-2-carboximidamide
SMILES[H]/N=C(\N)N1CO1
InChIInChI=1S/C2H5N3O/c3-2(4)5-1-6-5/h1H2,(H3,3,4)
InChIKeyMNXJXUSIOKLRJQ-UHFFFAOYSA-N
XLogP-0.92
TPSA65.41 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50087.08
LogP ≤ 5-0.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

oxaziridine-2-carboximidamide;hydrochloride
CID 87822275
4-propylpiperazine-1-carboximidamide
CID 18176782
3-methoxyazetidine-1-carboximidamide;hydrochloride
CID 154776397
2-methylideneazetidine-1-carboximidamide
CID 118492858
2-(hydroxymethyl)-6-methylmorpholine-4-carboximidamide
CID 102936516
(2R,3S)-1-carbamimidoyl-2-methylazetidine-3-carboxylic acid
CID 118493172
4-(3-hydroxypropyl)piperazine-1-carboximidamide
CID 170081980
bis(morpholine-4-carboximidamide);sulfate
CID 73010846
phosphanylmethanimidamide;hydrate
CID 174901910
triazole-2-carboximidamide
CID 130367055
2-oxoazetidine-1-carboximidamide
CID 118484842
(2R)-2-methylazetidine-1-carboximidamide
CID 146189041

Frequently Asked Questions

What is the IUPAC name of oxaziridine-2-carboximidamide?
The IUPAC name of oxaziridine-2-carboximidamide (CID 87822276) is oxaziridine-2-carboximidamide.
What is the SMILES notation for oxaziridine-2-carboximidamide?
The canonical SMILES for oxaziridine-2-carboximidamide is [H]/N=C(\N)N1CO1.
What is the InChIKey of oxaziridine-2-carboximidamide?
The InChIKey is MNXJXUSIOKLRJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H5N3O/c3-2(4)5-1-6-5/h1H2,(H3,3,4).
What are the key properties of oxaziridine-2-carboximidamide?
oxaziridine-2-carboximidamide has a molecular weight of 87.08 g/mol, XLogP of -0.92, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for oxaziridine-2-carboximidamide is sourced from PubChem (CID 87822276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).