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

C7H12N2O2 — CID 58965109

IUPAC(3-methyl-4,5-dihydro-1,2-oxazol-5-yl)methyl ethanimidate
SMILES[H]/N=C(\C)OCC1CC(C)=NO1
InChIInChI=1S/C7H12N2O2/c1-5-3-7(11-9-5)4-10-6(2)8/h7-8H,3-4H2,1-2H3/b8-6+
InChIKeyRFBDJFGBXICGBA-SOFGYWHQSA-N
MW156.18 g/mol
LogP1.16
Rot. Bonds2

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

(3-methyl-4,5-dihydro-1,2-oxazol-5-yl)methyl ethanimidate (PubChem CID 58965109) has the molecular formula C7H12N2O2 and a molecular weight of 156.18 g/mol. Its IUPAC name is (3-methyl-4,5-dihydro-1,2-oxazol-5-yl)methyl ethanimidate.

Molecular Properties

Compound Name(3-methyl-4,5-dihydro-1,2-oxazol-5-yl)methyl ethanimidate
PubChem CID58965109
Molecular FormulaC7H12N2O2
Molecular Weight156.18 g/mol
Exact Mass156.09
IUPAC Name(3-methyl-4,5-dihydro-1,2-oxazol-5-yl)methyl ethanimidate
SMILES[H]/N=C(\C)OCC1CC(C)=NO1
InChIInChI=1S/C7H12N2O2/c1-5-3-7(11-9-5)4-10-6(2)8/h7-8H,3-4H2,1-2H3/b8-6+
InChIKeyRFBDJFGBXICGBA-SOFGYWHQSA-N
XLogP1.16
TPSA54.67 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.18
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (3-methyl-4,5-dihydro-1,2-oxazol-5-yl)methyl ethanimidate?
The IUPAC name of (3-methyl-4,5-dihydro-1,2-oxazol-5-yl)methyl ethanimidate (CID 58965109) is (3-methyl-4,5-dihydro-1,2-oxazol-5-yl)methyl ethanimidate.
What is the SMILES notation for (3-methyl-4,5-dihydro-1,2-oxazol-5-yl)methyl ethanimidate?
The canonical SMILES for (3-methyl-4,5-dihydro-1,2-oxazol-5-yl)methyl ethanimidate is [H]/N=C(\C)OCC1CC(C)=NO1.
What is the InChIKey of (3-methyl-4,5-dihydro-1,2-oxazol-5-yl)methyl ethanimidate?
The InChIKey is RFBDJFGBXICGBA-SOFGYWHQSA-N. The full InChI is InChI=1S/C7H12N2O2/c1-5-3-7(11-9-5)4-10-6(2)8/h7-8H,3-4H2,1-2H3/b8-6+.
What are the key properties of (3-methyl-4,5-dihydro-1,2-oxazol-5-yl)methyl ethanimidate?
(3-methyl-4,5-dihydro-1,2-oxazol-5-yl)methyl ethanimidate has a molecular weight of 156.18 g/mol, XLogP of 1.16, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methyl-4,5-dihydro-1,2-oxazol-5-yl)methyl ethanimidate is sourced from PubChem (CID 58965109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).