5-(azetidin-3-ylmethoxy)-1,3-benzoxazole

C11H12N2O2 — CID 84672193

IUPAC5-(azetidin-3-ylmethoxy)-1,3-benzoxazole
SMILESc1nc2cc(OCC3CNC3)ccc2o1
InChIInChI=1S/C11H12N2O2/c1-2-11-10(13-7-15-11)3-9(1)14-6-8-4-12-5-8/h1-3,7-8,12H,4-6H2
InChIKeyUAYVJRGVHMSWIN-UHFFFAOYSA-N
MW204.23 g/mol
LogP1.43
Rot. Bonds3

About 5-(azetidin-3-ylmethoxy)-1,3-benzoxazole

5-(azetidin-3-ylmethoxy)-1,3-benzoxazole (PubChem CID 84672193) has the molecular formula C11H12N2O2 and a molecular weight of 204.23 g/mol. Its IUPAC name is 5-(azetidin-3-ylmethoxy)-1,3-benzoxazole.

Molecular Properties

Compound Name5-(azetidin-3-ylmethoxy)-1,3-benzoxazole
PubChem CID84672193
Molecular FormulaC11H12N2O2
Molecular Weight204.23 g/mol
Exact Mass204.09
IUPAC Name5-(azetidin-3-ylmethoxy)-1,3-benzoxazole
SMILESc1nc2cc(OCC3CNC3)ccc2o1
InChIInChI=1S/C11H12N2O2/c1-2-11-10(13-7-15-11)3-9(1)14-6-8-4-12-5-8/h1-3,7-8,12H,4-6H2
InChIKeyUAYVJRGVHMSWIN-UHFFFAOYSA-N
XLogP1.43
TPSA47.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.23
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(1-benzofuran-5-yloxymethyl)azetidine
CID 84671433
6-(piperidin-4-ylmethoxy)-1,3-benzoxazole
CID 84695642
3-[(3,4-dichlorophenoxy)methyl]azetidine
CID 71133730
6-(azetidin-3-ylmethoxy)-1H-benzimidazole
CID 84671565
6-(azetidin-3-ylmethoxy)quinoline
CID 86262198
5-(azetidin-3-ylmethoxy)-1-methylbenzotriazole
CID 84683768
4-[3-(1,3-benzoxazol-5-yloxy)propoxy]aniline
CID 117098234
6-(azetidin-3-ylmethyl)-1,3-benzoxazole
CID 116925337
1,3-benzoxazol-5-yl 2-cyclohexylacetate
CID 110494352
5-(pyrrolidin-3-ylmethoxy)-1,2-benzoxazole
CID 84683617
5-(piperidin-3-ylmethoxy)-2-propan-2-yl-1,3-benzoxazole
CID 117098151
1,3-benzoxazol-5-yl cyclobutanecarboxylate
CID 110494343

Frequently Asked Questions

What is the IUPAC name of 5-(azetidin-3-ylmethoxy)-1,3-benzoxazole?
The IUPAC name of 5-(azetidin-3-ylmethoxy)-1,3-benzoxazole (CID 84672193) is 5-(azetidin-3-ylmethoxy)-1,3-benzoxazole.
What is the SMILES notation for 5-(azetidin-3-ylmethoxy)-1,3-benzoxazole?
The canonical SMILES for 5-(azetidin-3-ylmethoxy)-1,3-benzoxazole is c1nc2cc(OCC3CNC3)ccc2o1.
What is the InChIKey of 5-(azetidin-3-ylmethoxy)-1,3-benzoxazole?
The InChIKey is UAYVJRGVHMSWIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O2/c1-2-11-10(13-7-15-11)3-9(1)14-6-8-4-12-5-8/h1-3,7-8,12H,4-6H2.
What are the key properties of 5-(azetidin-3-ylmethoxy)-1,3-benzoxazole?
5-(azetidin-3-ylmethoxy)-1,3-benzoxazole has a molecular weight of 204.23 g/mol, XLogP of 1.43, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(azetidin-3-ylmethoxy)-1,3-benzoxazole is sourced from PubChem (CID 84672193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).