5-[(3-methylazetidin-3-yl)oxymethyl]-1,2-oxazole

C8H12N2O2 — CID 83066760

IUPAC5-[(3-methylazetidin-3-yl)oxymethyl]-1,2-oxazole
SMILESCC1(OCc2ccno2)CNC1
InChIInChI=1S/C8H12N2O2/c1-8(5-9-6-8)11-4-7-2-3-10-12-7/h2-3,9H,4-6H2,1H3
InChIKeyYCRRGDMLADDHAD-UHFFFAOYSA-N
MW168.20 g/mol
LogP0.55
Rot. Bonds3

About 5-[(3-methylazetidin-3-yl)oxymethyl]-1,2-oxazole

5-[(3-methylazetidin-3-yl)oxymethyl]-1,2-oxazole (PubChem CID 83066760) has the molecular formula C8H12N2O2 and a molecular weight of 168.20 g/mol. Its IUPAC name is 5-[(3-methylazetidin-3-yl)oxymethyl]-1,2-oxazole.

Molecular Properties

Compound Name5-[(3-methylazetidin-3-yl)oxymethyl]-1,2-oxazole
PubChem CID83066760
Molecular FormulaC8H12N2O2
Molecular Weight168.20 g/mol
Exact Mass168.09
IUPAC Name5-[(3-methylazetidin-3-yl)oxymethyl]-1,2-oxazole
SMILESCC1(OCc2ccno2)CNC1
InChIInChI=1S/C8H12N2O2/c1-8(5-9-6-8)11-4-7-2-3-10-12-7/h2-3,9H,4-6H2,1H3
InChIKeyYCRRGDMLADDHAD-UHFFFAOYSA-N
XLogP0.55
TPSA47.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.20
LogP ≤ 50.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[(3-methylazetidin-3-yl)oxymethyl]-1,2-oxazole?
The IUPAC name of 5-[(3-methylazetidin-3-yl)oxymethyl]-1,2-oxazole (CID 83066760) is 5-[(3-methylazetidin-3-yl)oxymethyl]-1,2-oxazole.
What is the SMILES notation for 5-[(3-methylazetidin-3-yl)oxymethyl]-1,2-oxazole?
The canonical SMILES for 5-[(3-methylazetidin-3-yl)oxymethyl]-1,2-oxazole is CC1(OCc2ccno2)CNC1.
What is the InChIKey of 5-[(3-methylazetidin-3-yl)oxymethyl]-1,2-oxazole?
The InChIKey is YCRRGDMLADDHAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O2/c1-8(5-9-6-8)11-4-7-2-3-10-12-7/h2-3,9H,4-6H2,1H3.
What are the key properties of 5-[(3-methylazetidin-3-yl)oxymethyl]-1,2-oxazole?
5-[(3-methylazetidin-3-yl)oxymethyl]-1,2-oxazole has a molecular weight of 168.20 g/mol, XLogP of 0.55, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3-methylazetidin-3-yl)oxymethyl]-1,2-oxazole is sourced from PubChem (CID 83066760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).