3-[[2-(azetidin-3-yloxy)-4-chlorophenoxy]methyl]-5-methyl-1,2-oxazole

C14H15ClN2O3 — CID 46214158

IUPAC3-[[2-(azetidin-3-yloxy)-4-chlorophenoxy]methyl]-5-methyl-1,2-oxazole
SMILESCc1cc(COc2ccc(Cl)cc2OC2CNC2)no1
InChIInChI=1S/C14H15ClN2O3/c1-9-4-11(17-20-9)8-18-13-3-2-10(15)5-14(13)19-12-6-16-7-12/h2-5,12,16H,6-8H2,1H3
InChIKeyQEXHYCSURWDALJ-UHFFFAOYSA-N
MW294.74 g/mol
LogP2.57
Rot. Bonds5

About 3-[[2-(azetidin-3-yloxy)-4-chlorophenoxy]methyl]-5-methyl-1,2-oxazole

3-[[2-(azetidin-3-yloxy)-4-chlorophenoxy]methyl]-5-methyl-1,2-oxazole (PubChem CID 46214158) has the molecular formula C14H15ClN2O3 and a molecular weight of 294.74 g/mol. Its IUPAC name is 3-[[2-(azetidin-3-yloxy)-4-chlorophenoxy]methyl]-5-methyl-1,2-oxazole.

Molecular Properties

Compound Name3-[[2-(azetidin-3-yloxy)-4-chlorophenoxy]methyl]-5-methyl-1,2-oxazole
PubChem CID46214158
Molecular FormulaC14H15ClN2O3
Molecular Weight294.74 g/mol
Exact Mass294.08
IUPAC Name3-[[2-(azetidin-3-yloxy)-4-chlorophenoxy]methyl]-5-methyl-1,2-oxazole
SMILESCc1cc(COc2ccc(Cl)cc2OC2CNC2)no1
InChIInChI=1S/C14H15ClN2O3/c1-9-4-11(17-20-9)8-18-13-3-2-10(15)5-14(13)19-12-6-16-7-12/h2-5,12,16H,6-8H2,1H3
InChIKeyQEXHYCSURWDALJ-UHFFFAOYSA-N
XLogP2.57
TPSA56.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.74
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[[2-(azetidin-3-yloxy)-4-chlorophenoxy]methyl]-5-methyl-1,2-oxazole?
The IUPAC name of 3-[[2-(azetidin-3-yloxy)-4-chlorophenoxy]methyl]-5-methyl-1,2-oxazole (CID 46214158) is 3-[[2-(azetidin-3-yloxy)-4-chlorophenoxy]methyl]-5-methyl-1,2-oxazole.
What is the SMILES notation for 3-[[2-(azetidin-3-yloxy)-4-chlorophenoxy]methyl]-5-methyl-1,2-oxazole?
The canonical SMILES for 3-[[2-(azetidin-3-yloxy)-4-chlorophenoxy]methyl]-5-methyl-1,2-oxazole is Cc1cc(COc2ccc(Cl)cc2OC2CNC2)no1.
What is the InChIKey of 3-[[2-(azetidin-3-yloxy)-4-chlorophenoxy]methyl]-5-methyl-1,2-oxazole?
The InChIKey is QEXHYCSURWDALJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClN2O3/c1-9-4-11(17-20-9)8-18-13-3-2-10(15)5-14(13)19-12-6-16-7-12/h2-5,12,16H,6-8H2,1H3.
What are the key properties of 3-[[2-(azetidin-3-yloxy)-4-chlorophenoxy]methyl]-5-methyl-1,2-oxazole?
3-[[2-(azetidin-3-yloxy)-4-chlorophenoxy]methyl]-5-methyl-1,2-oxazole has a molecular weight of 294.74 g/mol, XLogP of 2.57, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(azetidin-3-yloxy)-4-chlorophenoxy]methyl]-5-methyl-1,2-oxazole is sourced from PubChem (CID 46214158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).