(2Z)-2-(5-amino-1,2,4-oxadiazol-3-yl)-2-hydroxyiminoacetic acid

C4H4N4O4 — CID 135609660

IUPAC(2Z)-2-(5-amino-1,2,4-oxadiazol-3-yl)-2-hydroxyiminoacetic acid
SMILESNc1nc(/C(=N/O)C(=O)O)no1
InChIInChI=1S/C4H4N4O4/c5-4-6-2(8-12-4)1(7-11)3(9)10/h11H,(H,9,10)(H2,5,6,8)/b7-1-
InChIKeyITXVHHNHPKQBHH-XFSBKJJWSA-N
MW172.10 g/mol
LogP-1.09
Rot. Bonds2

About (2Z)-2-(5-amino-1,2,4-oxadiazol-3-yl)-2-hydroxyiminoacetic acid

(2Z)-2-(5-amino-1,2,4-oxadiazol-3-yl)-2-hydroxyiminoacetic acid (PubChem CID 135609660) has the molecular formula C4H4N4O4 and a molecular weight of 172.10 g/mol. Its IUPAC name is (2Z)-2-(5-amino-1,2,4-oxadiazol-3-yl)-2-hydroxyiminoacetic acid.

Molecular Properties

Compound Name(2Z)-2-(5-amino-1,2,4-oxadiazol-3-yl)-2-hydroxyiminoacetic acid
PubChem CID135609660
Molecular FormulaC4H4N4O4
Molecular Weight172.10 g/mol
Exact Mass172.02
IUPAC Name(2Z)-2-(5-amino-1,2,4-oxadiazol-3-yl)-2-hydroxyiminoacetic acid
SMILESNc1nc(/C(=N/O)C(=O)O)no1
InChIInChI=1S/C4H4N4O4/c5-4-6-2(8-12-4)1(7-11)3(9)10/h11H,(H,9,10)(H2,5,6,8)/b7-1-
InChIKeyITXVHHNHPKQBHH-XFSBKJJWSA-N
XLogP-1.09
TPSA134.83 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.10
LogP ≤ 5-1.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2Z)-2-(5-amino-1,2,4-oxadiazol-3-yl)-2-hydroxyiminoacetic acid?
The IUPAC name of (2Z)-2-(5-amino-1,2,4-oxadiazol-3-yl)-2-hydroxyiminoacetic acid (CID 135609660) is (2Z)-2-(5-amino-1,2,4-oxadiazol-3-yl)-2-hydroxyiminoacetic acid.
What is the SMILES notation for (2Z)-2-(5-amino-1,2,4-oxadiazol-3-yl)-2-hydroxyiminoacetic acid?
The canonical SMILES for (2Z)-2-(5-amino-1,2,4-oxadiazol-3-yl)-2-hydroxyiminoacetic acid is Nc1nc(/C(=N/O)C(=O)O)no1.
What is the InChIKey of (2Z)-2-(5-amino-1,2,4-oxadiazol-3-yl)-2-hydroxyiminoacetic acid?
The InChIKey is ITXVHHNHPKQBHH-XFSBKJJWSA-N. The full InChI is InChI=1S/C4H4N4O4/c5-4-6-2(8-12-4)1(7-11)3(9)10/h11H,(H,9,10)(H2,5,6,8)/b7-1-.
What are the key properties of (2Z)-2-(5-amino-1,2,4-oxadiazol-3-yl)-2-hydroxyiminoacetic acid?
(2Z)-2-(5-amino-1,2,4-oxadiazol-3-yl)-2-hydroxyiminoacetic acid has a molecular weight of 172.10 g/mol, XLogP of -1.09, 2 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-2-(5-amino-1,2,4-oxadiazol-3-yl)-2-hydroxyiminoacetic acid is sourced from PubChem (CID 135609660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).