tert-butyl (4Z)-4-hydroxyimino-5,7-dihydro-[1,2]oxazolo[5,4-c]pyridine-6-carboxylate

C11H15N3O4 — CID 87793588

IUPACtert-butyl (4Z)-4-hydroxyimino-5,7-dihydro-[1,2]oxazolo[5,4-c]pyridine-6-carboxylate
SMILESCC(C)(C)OC(=O)N1C/C(=N\O)c2cnoc2C1
InChIInChI=1S/C11H15N3O4/c1-11(2,3)17-10(15)14-5-8(13-16)7-4-12-18-9(7)6-14/h4,16H,5-6H2,1-3H3/b13-8+
InChIKeyMEFPYZBBNOZFLO-MDWZMJQESA-N
MW253.26 g/mol
LogP1.60
Rot. Bonds

About tert-butyl (4Z)-4-hydroxyimino-5,7-dihydro-[1,2]oxazolo[5,4-c]pyridine-6-carboxylate

tert-butyl (4Z)-4-hydroxyimino-5,7-dihydro-[1,2]oxazolo[5,4-c]pyridine-6-carboxylate (PubChem CID 87793588) has the molecular formula C11H15N3O4 and a molecular weight of 253.26 g/mol. Its IUPAC name is tert-butyl (4Z)-4-hydroxyimino-5,7-dihydro-[1,2]oxazolo[5,4-c]pyridine-6-carboxylate.

Molecular Properties

Compound Nametert-butyl (4Z)-4-hydroxyimino-5,7-dihydro-[1,2]oxazolo[5,4-c]pyridine-6-carboxylate
PubChem CID87793588
Molecular FormulaC11H15N3O4
Molecular Weight253.26 g/mol
Exact Mass253.11
IUPAC Nametert-butyl (4Z)-4-hydroxyimino-5,7-dihydro-[1,2]oxazolo[5,4-c]pyridine-6-carboxylate
SMILESCC(C)(C)OC(=O)N1C/C(=N\O)c2cnoc2C1
InChIInChI=1S/C11H15N3O4/c1-11(2,3)17-10(15)14-5-8(13-16)7-4-12-18-9(7)6-14/h4,16H,5-6H2,1-3H3/b13-8+
InChIKeyMEFPYZBBNOZFLO-MDWZMJQESA-N
XLogP1.60
TPSA88.16 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.26
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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'}

Analyze tert-butyl (4Z)-4-hydroxyimino-5,7-dihydro-[1,2]oxazolo[5,4-c]pyridine-6-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of tert-butyl (4Z)-4-hydroxyimino-5,7-dihydro-[1,2]oxazolo[5,4-c]pyridine-6-carboxylate?
The IUPAC name of tert-butyl (4Z)-4-hydroxyimino-5,7-dihydro-[1,2]oxazolo[5,4-c]pyridine-6-carboxylate (CID 87793588) is tert-butyl (4Z)-4-hydroxyimino-5,7-dihydro-[1,2]oxazolo[5,4-c]pyridine-6-carboxylate.
What is the SMILES notation for tert-butyl (4Z)-4-hydroxyimino-5,7-dihydro-[1,2]oxazolo[5,4-c]pyridine-6-carboxylate?
The canonical SMILES for tert-butyl (4Z)-4-hydroxyimino-5,7-dihydro-[1,2]oxazolo[5,4-c]pyridine-6-carboxylate is CC(C)(C)OC(=O)N1C/C(=N\O)c2cnoc2C1.
What is the InChIKey of tert-butyl (4Z)-4-hydroxyimino-5,7-dihydro-[1,2]oxazolo[5,4-c]pyridine-6-carboxylate?
The InChIKey is MEFPYZBBNOZFLO-MDWZMJQESA-N. The full InChI is InChI=1S/C11H15N3O4/c1-11(2,3)17-10(15)14-5-8(13-16)7-4-12-18-9(7)6-14/h4,16H,5-6H2,1-3H3/b13-8+.
What are the key properties of tert-butyl (4Z)-4-hydroxyimino-5,7-dihydro-[1,2]oxazolo[5,4-c]pyridine-6-carboxylate?
tert-butyl (4Z)-4-hydroxyimino-5,7-dihydro-[1,2]oxazolo[5,4-c]pyridine-6-carboxylate has a molecular weight of 253.26 g/mol, XLogP of 1.60, 0 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (4Z)-4-hydroxyimino-5,7-dihydro-[1,2]oxazolo[5,4-c]pyridine-6-carboxylate is sourced from PubChem (CID 87793588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).