5-(aminooxymethyl)-1,2-oxazole-3-carbonitrile

C5H5N3O2 — CID 142662650

IUPAC5-(aminooxymethyl)-1,2-oxazole-3-carbonitrile
SMILESN#Cc1cc(CON)on1
InChIInChI=1S/C5H5N3O2/c6-2-4-1-5(3-9-7)10-8-4/h1H,3,7H2
InChIKeySQUQQVKBQFLBHG-UHFFFAOYSA-N
MW139.11 g/mol
LogP-0.06
Rot. Bonds2

About 5-(aminooxymethyl)-1,2-oxazole-3-carbonitrile

5-(aminooxymethyl)-1,2-oxazole-3-carbonitrile (PubChem CID 142662650) has the molecular formula C5H5N3O2 and a molecular weight of 139.11 g/mol. Its IUPAC name is 5-(aminooxymethyl)-1,2-oxazole-3-carbonitrile.

Molecular Properties

Compound Name5-(aminooxymethyl)-1,2-oxazole-3-carbonitrile
PubChem CID142662650
Molecular FormulaC5H5N3O2
Molecular Weight139.11 g/mol
Exact Mass139.04
IUPAC Name5-(aminooxymethyl)-1,2-oxazole-3-carbonitrile
SMILESN#Cc1cc(CON)on1
InChIInChI=1S/C5H5N3O2/c6-2-4-1-5(3-9-7)10-8-4/h1H,3,7H2
InChIKeySQUQQVKBQFLBHG-UHFFFAOYSA-N
XLogP-0.06
TPSA85.07 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.11
LogP ≤ 5-0.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-(aminooxymethyl)-1,2-oxazole-3-carbonitrile?
The IUPAC name of 5-(aminooxymethyl)-1,2-oxazole-3-carbonitrile (CID 142662650) is 5-(aminooxymethyl)-1,2-oxazole-3-carbonitrile.
What is the SMILES notation for 5-(aminooxymethyl)-1,2-oxazole-3-carbonitrile?
The canonical SMILES for 5-(aminooxymethyl)-1,2-oxazole-3-carbonitrile is N#Cc1cc(CON)on1.
What is the InChIKey of 5-(aminooxymethyl)-1,2-oxazole-3-carbonitrile?
The InChIKey is SQUQQVKBQFLBHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5N3O2/c6-2-4-1-5(3-9-7)10-8-4/h1H,3,7H2.
What are the key properties of 5-(aminooxymethyl)-1,2-oxazole-3-carbonitrile?
5-(aminooxymethyl)-1,2-oxazole-3-carbonitrile has a molecular weight of 139.11 g/mol, XLogP of -0.06, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(aminooxymethyl)-1,2-oxazole-3-carbonitrile is sourced from PubChem (CID 142662650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).