5H-pyrrolo[3,4-d][1,2]oxazol-6-ylmethanimine

C6H5N3O — CID 162788489

IUPAC5H-pyrrolo[3,4-d][1,2]oxazol-6-ylmethanimine
SMILES[H]/N=C/c1[nH]cc2cnoc12
InChIInChI=1S/C6H5N3O/c7-1-5-6-4(2-8-5)3-9-10-6/h1-3,7-8H/b7-1+
InChIKeyGPGPWEMREFPVSA-LREOWRDNSA-N
MW135.13 g/mol
LogP1.15
Rot. Bonds1

About 5H-pyrrolo[3,4-d][1,2]oxazol-6-ylmethanimine

5H-pyrrolo[3,4-d][1,2]oxazol-6-ylmethanimine (PubChem CID 162788489) has the molecular formula C6H5N3O and a molecular weight of 135.13 g/mol. Its IUPAC name is 5H-pyrrolo[3,4-d][1,2]oxazol-6-ylmethanimine.

Molecular Properties

Compound Name5H-pyrrolo[3,4-d][1,2]oxazol-6-ylmethanimine
PubChem CID162788489
Molecular FormulaC6H5N3O
Molecular Weight135.13 g/mol
Exact Mass135.04
IUPAC Name5H-pyrrolo[3,4-d][1,2]oxazol-6-ylmethanimine
SMILES[H]/N=C/c1[nH]cc2cnoc12
InChIInChI=1S/C6H5N3O/c7-1-5-6-4(2-8-5)3-9-10-6/h1-3,7-8H/b7-1+
InChIKeyGPGPWEMREFPVSA-LREOWRDNSA-N
XLogP1.15
TPSA65.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500135.13
LogP ≤ 51.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze 5H-pyrrolo[3,4-d][1,2]oxazol-6-ylmethanimine 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 5H-pyrrolo[3,4-d][1,2]oxazol-6-ylmethanimine?
The IUPAC name of 5H-pyrrolo[3,4-d][1,2]oxazol-6-ylmethanimine (CID 162788489) is 5H-pyrrolo[3,4-d][1,2]oxazol-6-ylmethanimine.
What is the SMILES notation for 5H-pyrrolo[3,4-d][1,2]oxazol-6-ylmethanimine?
The canonical SMILES for 5H-pyrrolo[3,4-d][1,2]oxazol-6-ylmethanimine is [H]/N=C/c1[nH]cc2cnoc12.
What is the InChIKey of 5H-pyrrolo[3,4-d][1,2]oxazol-6-ylmethanimine?
The InChIKey is GPGPWEMREFPVSA-LREOWRDNSA-N. The full InChI is InChI=1S/C6H5N3O/c7-1-5-6-4(2-8-5)3-9-10-6/h1-3,7-8H/b7-1+.
What are the key properties of 5H-pyrrolo[3,4-d][1,2]oxazol-6-ylmethanimine?
5H-pyrrolo[3,4-d][1,2]oxazol-6-ylmethanimine has a molecular weight of 135.13 g/mol, XLogP of 1.15, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5H-pyrrolo[3,4-d][1,2]oxazol-6-ylmethanimine is sourced from PubChem (CID 162788489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).