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

C11H12N2O2 — CID 84672190

IUPAC6-(azetidin-3-yloxy)-2-methyl-1,3-benzoxazole
SMILESCc1nc2ccc(OC3CNC3)cc2o1
InChIInChI=1S/C11H12N2O2/c1-7-13-10-3-2-8(4-11(10)14-7)15-9-5-12-6-9/h2-4,9,12H,5-6H2,1H3
InChIKeyOCECGYGTKSRWED-UHFFFAOYSA-N
MW204.23 g/mol
LogP1.49
Rot. Bonds2

About 6-(azetidin-3-yloxy)-2-methyl-1,3-benzoxazole

6-(azetidin-3-yloxy)-2-methyl-1,3-benzoxazole (PubChem CID 84672190) has the molecular formula C11H12N2O2 and a molecular weight of 204.23 g/mol. Its IUPAC name is 6-(azetidin-3-yloxy)-2-methyl-1,3-benzoxazole.

Molecular Properties

Compound Name6-(azetidin-3-yloxy)-2-methyl-1,3-benzoxazole
PubChem CID84672190
Molecular FormulaC11H12N2O2
Molecular Weight204.23 g/mol
Exact Mass204.09
IUPAC Name6-(azetidin-3-yloxy)-2-methyl-1,3-benzoxazole
SMILESCc1nc2ccc(OC3CNC3)cc2o1
InChIInChI=1S/C11H12N2O2/c1-7-13-10-3-2-8(4-11(10)14-7)15-9-5-12-6-9/h2-4,9,12H,5-6H2,1H3
InChIKeyOCECGYGTKSRWED-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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Related Compounds

2-methyl-5-piperidin-3-yloxy-1,3-benzoxazole
CID 84695591
6-(azetidin-3-yloxy)-2-methyl-1H-benzimidazole
CID 84671564
4-[2-[(2-methyl-1,3-benzoxazol-6-yl)oxy]ethoxy]aniline
CID 117098351
5-(azetidin-3-yloxy)-3-methyl-1,2-benzoxazole
CID 84672184
6-iodo-2-methyl-1,3-benzoxazole
CID 119084609
2-methyl-6-(3-piperazin-1-ylpropoxy)-1,3-benzoxazole
CID 154630496
4-(2-methyl-1,3-benzoxazol-6-yl)imidazolidin-2-one
CID 116855847
6-(azetidin-3-yloxy)quinoline;hydrochloride
CID 86262635
3-[2-[(2-methyl-1,3-benzoxazol-6-yl)oxy]ethoxy]aniline
CID 117098348
N-cyclopropyl-2-methyl-1,3-benzoxazol-6-amine
CID 83483514
6-(2,3-dihydro-1H-pyrrolo[2,3-b]pyridin-6-ylmethoxy)-2-methyl-1,3-benzoxazole
CID 163318913
(2-methyl-1,3-benzoxazol-6-yl)-morpholin-2-ylmethanone
CID 116919555

Frequently Asked Questions

What is the IUPAC name of 6-(azetidin-3-yloxy)-2-methyl-1,3-benzoxazole?
The IUPAC name of 6-(azetidin-3-yloxy)-2-methyl-1,3-benzoxazole (CID 84672190) is 6-(azetidin-3-yloxy)-2-methyl-1,3-benzoxazole.
What is the SMILES notation for 6-(azetidin-3-yloxy)-2-methyl-1,3-benzoxazole?
The canonical SMILES for 6-(azetidin-3-yloxy)-2-methyl-1,3-benzoxazole is Cc1nc2ccc(OC3CNC3)cc2o1.
What is the InChIKey of 6-(azetidin-3-yloxy)-2-methyl-1,3-benzoxazole?
The InChIKey is OCECGYGTKSRWED-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O2/c1-7-13-10-3-2-8(4-11(10)14-7)15-9-5-12-6-9/h2-4,9,12H,5-6H2,1H3.
What are the key properties of 6-(azetidin-3-yloxy)-2-methyl-1,3-benzoxazole?
6-(azetidin-3-yloxy)-2-methyl-1,3-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 6-(azetidin-3-yloxy)-2-methyl-1,3-benzoxazole is sourced from PubChem (CID 84672190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).