5-(azetidin-3-yloxymethyl)-3-methyl-1,2-oxazole

C8H12N2O2 — CID 63105716

IUPAC5-(azetidin-3-yloxymethyl)-3-methyl-1,2-oxazole
SMILESCc1cc(COC2CNC2)on1
InChIInChI=1S/C8H12N2O2/c1-6-2-7(12-10-6)5-11-8-3-9-4-8/h2,8-9H,3-5H2,1H3
InChIKeyHDIUQFIGWPUHAI-UHFFFAOYSA-N
MW168.20 g/mol
LogP0.47
Rot. Bonds3

About 5-(azetidin-3-yloxymethyl)-3-methyl-1,2-oxazole

5-(azetidin-3-yloxymethyl)-3-methyl-1,2-oxazole (PubChem CID 63105716) has the molecular formula C8H12N2O2 and a molecular weight of 168.20 g/mol. Its IUPAC name is 5-(azetidin-3-yloxymethyl)-3-methyl-1,2-oxazole.

Molecular Properties

Compound Name5-(azetidin-3-yloxymethyl)-3-methyl-1,2-oxazole
PubChem CID63105716
Molecular FormulaC8H12N2O2
Molecular Weight168.20 g/mol
Exact Mass168.09
IUPAC Name5-(azetidin-3-yloxymethyl)-3-methyl-1,2-oxazole
SMILESCc1cc(COC2CNC2)on1
InChIInChI=1S/C8H12N2O2/c1-6-2-7(12-10-6)5-11-8-3-9-4-8/h2,8-9H,3-5H2,1H3
InChIKeyHDIUQFIGWPUHAI-UHFFFAOYSA-N
XLogP0.47
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 ≤ 50.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(azetidin-3-yloxymethyl)-3-methyl-1,2-oxazole?
The IUPAC name of 5-(azetidin-3-yloxymethyl)-3-methyl-1,2-oxazole (CID 63105716) is 5-(azetidin-3-yloxymethyl)-3-methyl-1,2-oxazole.
What is the SMILES notation for 5-(azetidin-3-yloxymethyl)-3-methyl-1,2-oxazole?
The canonical SMILES for 5-(azetidin-3-yloxymethyl)-3-methyl-1,2-oxazole is Cc1cc(COC2CNC2)on1.
What is the InChIKey of 5-(azetidin-3-yloxymethyl)-3-methyl-1,2-oxazole?
The InChIKey is HDIUQFIGWPUHAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O2/c1-6-2-7(12-10-6)5-11-8-3-9-4-8/h2,8-9H,3-5H2,1H3.
What are the key properties of 5-(azetidin-3-yloxymethyl)-3-methyl-1,2-oxazole?
5-(azetidin-3-yloxymethyl)-3-methyl-1,2-oxazole has a molecular weight of 168.20 g/mol, XLogP of 0.47, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(azetidin-3-yloxymethyl)-3-methyl-1,2-oxazole is sourced from PubChem (CID 63105716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).