2-([1,2,5]oxadiazolo[3,4-d]pyrimidin-7-ylamino)oxy-N-phenylacetamide

C12H10N6O3 — CID 4074279

IUPAC2-([1,2,5]oxadiazolo[3,4-d]pyrimidin-7-ylamino)oxy-N-phenylacetamide
SMILESO=C(CONc1ncnc2nonc12)Nc1ccccc1
InChIInChI=1S/C12H10N6O3/c19-9(15-8-4-2-1-3-5-8)6-20-17-11-10-12(14-7-13-11)18-21-16-10/h1-5,7H,6H2,(H,15,19)(H,13,14,17,18)
InChIKeyIHESSVQMAHZGNN-UHFFFAOYSA-N
MW286.25 g/mol
LogP1.00
Rot. Bonds5

About 2-([1,2,5]oxadiazolo[3,4-d]pyrimidin-7-ylamino)oxy-N-phenylacetamide

2-([1,2,5]oxadiazolo[3,4-d]pyrimidin-7-ylamino)oxy-N-phenylacetamide (PubChem CID 4074279) has the molecular formula C12H10N6O3 and a molecular weight of 286.25 g/mol. Its IUPAC name is 2-([1,2,5]oxadiazolo[3,4-d]pyrimidin-7-ylamino)oxy-N-phenylacetamide.

Molecular Properties

Compound Name2-([1,2,5]oxadiazolo[3,4-d]pyrimidin-7-ylamino)oxy-N-phenylacetamide
PubChem CID4074279
Molecular FormulaC12H10N6O3
Molecular Weight286.25 g/mol
Exact Mass286.08
IUPAC Name2-([1,2,5]oxadiazolo[3,4-d]pyrimidin-7-ylamino)oxy-N-phenylacetamide
SMILESO=C(CONc1ncnc2nonc12)Nc1ccccc1
InChIInChI=1S/C12H10N6O3/c19-9(15-8-4-2-1-3-5-8)6-20-17-11-10-12(14-7-13-11)18-21-16-10/h1-5,7H,6H2,(H,15,19)(H,13,14,17,18)
InChIKeyIHESSVQMAHZGNN-UHFFFAOYSA-N
XLogP1.00
TPSA115.06 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.25
LogP ≤ 51.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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 2-([1,2,5]oxadiazolo[3,4-d]pyrimidin-7-ylamino)oxy-N-phenylacetamide?
The IUPAC name of 2-([1,2,5]oxadiazolo[3,4-d]pyrimidin-7-ylamino)oxy-N-phenylacetamide (CID 4074279) is 2-([1,2,5]oxadiazolo[3,4-d]pyrimidin-7-ylamino)oxy-N-phenylacetamide.
What is the SMILES notation for 2-([1,2,5]oxadiazolo[3,4-d]pyrimidin-7-ylamino)oxy-N-phenylacetamide?
The canonical SMILES for 2-([1,2,5]oxadiazolo[3,4-d]pyrimidin-7-ylamino)oxy-N-phenylacetamide is O=C(CONc1ncnc2nonc12)Nc1ccccc1.
What is the InChIKey of 2-([1,2,5]oxadiazolo[3,4-d]pyrimidin-7-ylamino)oxy-N-phenylacetamide?
The InChIKey is IHESSVQMAHZGNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N6O3/c19-9(15-8-4-2-1-3-5-8)6-20-17-11-10-12(14-7-13-11)18-21-16-10/h1-5,7H,6H2,(H,15,19)(H,13,14,17,18).
What are the key properties of 2-([1,2,5]oxadiazolo[3,4-d]pyrimidin-7-ylamino)oxy-N-phenylacetamide?
2-([1,2,5]oxadiazolo[3,4-d]pyrimidin-7-ylamino)oxy-N-phenylacetamide has a molecular weight of 286.25 g/mol, XLogP of 1.00, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-([1,2,5]oxadiazolo[3,4-d]pyrimidin-7-ylamino)oxy-N-phenylacetamide is sourced from PubChem (CID 4074279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).