(4Z)-4-hydroxyimino-5,7-dihydro-[1,2]oxazolo[5,4-c]pyridine-6-carboxylic acid

C7H7N3O4 — CID 87801356

IUPAC(4Z)-4-hydroxyimino-5,7-dihydro-[1,2]oxazolo[5,4-c]pyridine-6-carboxylic acid
SMILESO=C(O)N1C/C(=N\O)c2cnoc2C1
InChIInChI=1S/C7H7N3O4/c11-7(12)10-2-5(9-13)4-1-8-14-6(4)3-10/h1,13H,2-3H2,(H,11,12)/b9-5+
InChIKeyUJMORZGXZAJGOH-WEVVVXLNSA-N
MW197.15 g/mol
LogP0.35
Rot. Bonds

About (4Z)-4-hydroxyimino-5,7-dihydro-[1,2]oxazolo[5,4-c]pyridine-6-carboxylic acid

(4Z)-4-hydroxyimino-5,7-dihydro-[1,2]oxazolo[5,4-c]pyridine-6-carboxylic acid (PubChem CID 87801356) has the molecular formula C7H7N3O4 and a molecular weight of 197.15 g/mol. Its IUPAC name is (4Z)-4-hydroxyimino-5,7-dihydro-[1,2]oxazolo[5,4-c]pyridine-6-carboxylic acid.

Molecular Properties

Compound Name(4Z)-4-hydroxyimino-5,7-dihydro-[1,2]oxazolo[5,4-c]pyridine-6-carboxylic acid
PubChem CID87801356
Molecular FormulaC7H7N3O4
Molecular Weight197.15 g/mol
Exact Mass197.04
IUPAC Name(4Z)-4-hydroxyimino-5,7-dihydro-[1,2]oxazolo[5,4-c]pyridine-6-carboxylic acid
SMILESO=C(O)N1C/C(=N\O)c2cnoc2C1
InChIInChI=1S/C7H7N3O4/c11-7(12)10-2-5(9-13)4-1-8-14-6(4)3-10/h1,13H,2-3H2,(H,11,12)/b9-5+
InChIKeyUJMORZGXZAJGOH-WEVVVXLNSA-N
XLogP0.35
TPSA99.16 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.15
LogP ≤ 50.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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 (4Z)-4-hydroxyimino-5,7-dihydro-[1,2]oxazolo[5,4-c]pyridine-6-carboxylic acid?
The IUPAC name of (4Z)-4-hydroxyimino-5,7-dihydro-[1,2]oxazolo[5,4-c]pyridine-6-carboxylic acid (CID 87801356) is (4Z)-4-hydroxyimino-5,7-dihydro-[1,2]oxazolo[5,4-c]pyridine-6-carboxylic acid.
What is the SMILES notation for (4Z)-4-hydroxyimino-5,7-dihydro-[1,2]oxazolo[5,4-c]pyridine-6-carboxylic acid?
The canonical SMILES for (4Z)-4-hydroxyimino-5,7-dihydro-[1,2]oxazolo[5,4-c]pyridine-6-carboxylic acid is O=C(O)N1C/C(=N\O)c2cnoc2C1.
What is the InChIKey of (4Z)-4-hydroxyimino-5,7-dihydro-[1,2]oxazolo[5,4-c]pyridine-6-carboxylic acid?
The InChIKey is UJMORZGXZAJGOH-WEVVVXLNSA-N. The full InChI is InChI=1S/C7H7N3O4/c11-7(12)10-2-5(9-13)4-1-8-14-6(4)3-10/h1,13H,2-3H2,(H,11,12)/b9-5+.
What are the key properties of (4Z)-4-hydroxyimino-5,7-dihydro-[1,2]oxazolo[5,4-c]pyridine-6-carboxylic acid?
(4Z)-4-hydroxyimino-5,7-dihydro-[1,2]oxazolo[5,4-c]pyridine-6-carboxylic acid has a molecular weight of 197.15 g/mol, XLogP of 0.35, 0 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z)-4-hydroxyimino-5,7-dihydro-[1,2]oxazolo[5,4-c]pyridine-6-carboxylic acid is sourced from PubChem (CID 87801356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).