N-(3-methyl-4,5-dihydro-1,2-oxazol-5-yl)methanimine

C5H8N2O — CID 129026318

IUPACN-(3-methyl-4,5-dihydro-1,2-oxazol-5-yl)methanimine
SMILESC=NC1CC(C)=NO1
InChIInChI=1S/C5H8N2O/c1-4-3-5(6-2)8-7-4/h5H,2-3H2,1H3
InChIKeyMLGGHVOPQYEJRZ-UHFFFAOYSA-N
MW112.13 g/mol
LogP0.81
Rot. Bonds1

About N-(3-methyl-4,5-dihydro-1,2-oxazol-5-yl)methanimine

N-(3-methyl-4,5-dihydro-1,2-oxazol-5-yl)methanimine (PubChem CID 129026318) has the molecular formula C5H8N2O and a molecular weight of 112.13 g/mol. Its IUPAC name is N-(3-methyl-4,5-dihydro-1,2-oxazol-5-yl)methanimine.

Molecular Properties

Compound NameN-(3-methyl-4,5-dihydro-1,2-oxazol-5-yl)methanimine
PubChem CID129026318
Molecular FormulaC5H8N2O
Molecular Weight112.13 g/mol
Exact Mass112.06
IUPAC NameN-(3-methyl-4,5-dihydro-1,2-oxazol-5-yl)methanimine
SMILESC=NC1CC(C)=NO1
InChIInChI=1S/C5H8N2O/c1-4-3-5(6-2)8-7-4/h5H,2-3H2,1H3
InChIKeyMLGGHVOPQYEJRZ-UHFFFAOYSA-N
XLogP0.81
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500112.13
LogP ≤ 50.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 N-(3-methyl-4,5-dihydro-1,2-oxazol-5-yl)methanimine?
The IUPAC name of N-(3-methyl-4,5-dihydro-1,2-oxazol-5-yl)methanimine (CID 129026318) is N-(3-methyl-4,5-dihydro-1,2-oxazol-5-yl)methanimine.
What is the SMILES notation for N-(3-methyl-4,5-dihydro-1,2-oxazol-5-yl)methanimine?
The canonical SMILES for N-(3-methyl-4,5-dihydro-1,2-oxazol-5-yl)methanimine is C=NC1CC(C)=NO1.
What is the InChIKey of N-(3-methyl-4,5-dihydro-1,2-oxazol-5-yl)methanimine?
The InChIKey is MLGGHVOPQYEJRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8N2O/c1-4-3-5(6-2)8-7-4/h5H,2-3H2,1H3.
What are the key properties of N-(3-methyl-4,5-dihydro-1,2-oxazol-5-yl)methanimine?
N-(3-methyl-4,5-dihydro-1,2-oxazol-5-yl)methanimine has a molecular weight of 112.13 g/mol, XLogP of 0.81, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methyl-4,5-dihydro-1,2-oxazol-5-yl)methanimine is sourced from PubChem (CID 129026318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).