N-methoxy-1-(5-methyl-1,2-oxazol-3-yl)methanimine

C6H8N2O2 — CID 173321819

IUPACN-methoxy-1-(5-methyl-1,2-oxazol-3-yl)methanimine
SMILESCON=Cc1cc(C)on1
InChIInChI=1S/C6H8N2O2/c1-5-3-6(8-10-5)4-7-9-2/h3-4H,1-2H3
InChIKeyRRIOWVRYOAASKJ-UHFFFAOYSA-N
MW140.14 g/mol
LogP0.96
Rot. Bonds2

About N-methoxy-1-(5-methyl-1,2-oxazol-3-yl)methanimine

N-methoxy-1-(5-methyl-1,2-oxazol-3-yl)methanimine (PubChem CID 173321819) has the molecular formula C6H8N2O2 and a molecular weight of 140.14 g/mol. Its IUPAC name is N-methoxy-1-(5-methyl-1,2-oxazol-3-yl)methanimine.

Molecular Properties

Compound NameN-methoxy-1-(5-methyl-1,2-oxazol-3-yl)methanimine
PubChem CID173321819
Molecular FormulaC6H8N2O2
Molecular Weight140.14 g/mol
Exact Mass140.06
IUPAC NameN-methoxy-1-(5-methyl-1,2-oxazol-3-yl)methanimine
SMILESCON=Cc1cc(C)on1
InChIInChI=1S/C6H8N2O2/c1-5-3-6(8-10-5)4-7-9-2/h3-4H,1-2H3
InChIKeyRRIOWVRYOAASKJ-UHFFFAOYSA-N
XLogP0.96
TPSA47.62 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.14
LogP ≤ 50.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_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 N-methoxy-1-(5-methyl-1,2-oxazol-3-yl)methanimine?
The IUPAC name of N-methoxy-1-(5-methyl-1,2-oxazol-3-yl)methanimine (CID 173321819) is N-methoxy-1-(5-methyl-1,2-oxazol-3-yl)methanimine.
What is the SMILES notation for N-methoxy-1-(5-methyl-1,2-oxazol-3-yl)methanimine?
The canonical SMILES for N-methoxy-1-(5-methyl-1,2-oxazol-3-yl)methanimine is CON=Cc1cc(C)on1.
What is the InChIKey of N-methoxy-1-(5-methyl-1,2-oxazol-3-yl)methanimine?
The InChIKey is RRIOWVRYOAASKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N2O2/c1-5-3-6(8-10-5)4-7-9-2/h3-4H,1-2H3.
What are the key properties of N-methoxy-1-(5-methyl-1,2-oxazol-3-yl)methanimine?
N-methoxy-1-(5-methyl-1,2-oxazol-3-yl)methanimine has a molecular weight of 140.14 g/mol, XLogP of 0.96, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methoxy-1-(5-methyl-1,2-oxazol-3-yl)methanimine is sourced from PubChem (CID 173321819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).