pyrazolo[5,1-b][1,3]oxazol-7-ylmethanimine

C6H5N3O — CID 162788780

IUPACpyrazolo[5,1-b][1,3]oxazol-7-ylmethanimine
SMILES[H]/N=C/c1cnn2ccoc12
InChIInChI=1S/C6H5N3O/c7-3-5-4-8-9-1-2-10-6(5)9/h1-4,7H/b7-3+
InChIKeyCNVZBHCWKFFOTK-XVNBXDOJSA-N
MW135.13 g/mol
LogP0.92
Rot. Bonds1

About pyrazolo[5,1-b][1,3]oxazol-7-ylmethanimine

pyrazolo[5,1-b][1,3]oxazol-7-ylmethanimine (PubChem CID 162788780) has the molecular formula C6H5N3O and a molecular weight of 135.13 g/mol. Its IUPAC name is pyrazolo[5,1-b][1,3]oxazol-7-ylmethanimine.

Molecular Properties

Compound Namepyrazolo[5,1-b][1,3]oxazol-7-ylmethanimine
PubChem CID162788780
Molecular FormulaC6H5N3O
Molecular Weight135.13 g/mol
Exact Mass135.04
IUPAC Namepyrazolo[5,1-b][1,3]oxazol-7-ylmethanimine
SMILES[H]/N=C/c1cnn2ccoc12
InChIInChI=1S/C6H5N3O/c7-3-5-4-8-9-1-2-10-6(5)9/h1-4,7H/b7-3+
InChIKeyCNVZBHCWKFFOTK-XVNBXDOJSA-N
XLogP0.92
TPSA54.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500135.13
LogP ≤ 50.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of pyrazolo[5,1-b][1,3]oxazol-7-ylmethanimine?
The IUPAC name of pyrazolo[5,1-b][1,3]oxazol-7-ylmethanimine (CID 162788780) is pyrazolo[5,1-b][1,3]oxazol-7-ylmethanimine.
What is the SMILES notation for pyrazolo[5,1-b][1,3]oxazol-7-ylmethanimine?
The canonical SMILES for pyrazolo[5,1-b][1,3]oxazol-7-ylmethanimine is [H]/N=C/c1cnn2ccoc12.
What is the InChIKey of pyrazolo[5,1-b][1,3]oxazol-7-ylmethanimine?
The InChIKey is CNVZBHCWKFFOTK-XVNBXDOJSA-N. The full InChI is InChI=1S/C6H5N3O/c7-3-5-4-8-9-1-2-10-6(5)9/h1-4,7H/b7-3+.
What are the key properties of pyrazolo[5,1-b][1,3]oxazol-7-ylmethanimine?
pyrazolo[5,1-b][1,3]oxazol-7-ylmethanimine has a molecular weight of 135.13 g/mol, XLogP of 0.92, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for pyrazolo[5,1-b][1,3]oxazol-7-ylmethanimine is sourced from PubChem (CID 162788780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).