4-(azetidin-3-yloxy)-3-methyl-1,2-benzoxazole

C11H12N2O2 — CID 84672186

IUPAC4-(azetidin-3-yloxy)-3-methyl-1,2-benzoxazole
SMILESCc1noc2cccc(OC3CNC3)c12
InChIInChI=1S/C11H12N2O2/c1-7-11-9(14-8-5-12-6-8)3-2-4-10(11)15-13-7/h2-4,8,12H,5-6H2,1H3
InChIKeyTXYBHOOHHMGRDS-UHFFFAOYSA-N
MW204.23 g/mol
LogP1.49
Rot. Bonds2

About 4-(azetidin-3-yloxy)-3-methyl-1,2-benzoxazole

4-(azetidin-3-yloxy)-3-methyl-1,2-benzoxazole (PubChem CID 84672186) has the molecular formula C11H12N2O2 and a molecular weight of 204.23 g/mol. Its IUPAC name is 4-(azetidin-3-yloxy)-3-methyl-1,2-benzoxazole.

Molecular Properties

Compound Name4-(azetidin-3-yloxy)-3-methyl-1,2-benzoxazole
PubChem CID84672186
Molecular FormulaC11H12N2O2
Molecular Weight204.23 g/mol
Exact Mass204.09
IUPAC Name4-(azetidin-3-yloxy)-3-methyl-1,2-benzoxazole
SMILESCc1noc2cccc(OC3CNC3)c12
InChIInChI=1S/C11H12N2O2/c1-7-11-9(14-8-5-12-6-8)3-2-4-10(11)15-13-7/h2-4,8,12H,5-6H2,1H3
InChIKeyTXYBHOOHHMGRDS-UHFFFAOYSA-N
XLogP1.49
TPSA47.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.23
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(azetidin-3-yloxy)-3-methyl-1,2-benzoxazole?
The IUPAC name of 4-(azetidin-3-yloxy)-3-methyl-1,2-benzoxazole (CID 84672186) is 4-(azetidin-3-yloxy)-3-methyl-1,2-benzoxazole.
What is the SMILES notation for 4-(azetidin-3-yloxy)-3-methyl-1,2-benzoxazole?
The canonical SMILES for 4-(azetidin-3-yloxy)-3-methyl-1,2-benzoxazole is Cc1noc2cccc(OC3CNC3)c12.
What is the InChIKey of 4-(azetidin-3-yloxy)-3-methyl-1,2-benzoxazole?
The InChIKey is TXYBHOOHHMGRDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O2/c1-7-11-9(14-8-5-12-6-8)3-2-4-10(11)15-13-7/h2-4,8,12H,5-6H2,1H3.
What are the key properties of 4-(azetidin-3-yloxy)-3-methyl-1,2-benzoxazole?
4-(azetidin-3-yloxy)-3-methyl-1,2-benzoxazole has a molecular weight of 204.23 g/mol, XLogP of 1.49, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(azetidin-3-yloxy)-3-methyl-1,2-benzoxazole is sourced from PubChem (CID 84672186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).