(3-hydroxyazetidin-1-yl)-(3-methyl-[1,2]oxazolo[5,4-b]pyridin-5-yl)methanone

C11H11N3O3 — CID 55178781

IUPAC(3-hydroxyazetidin-1-yl)-(3-methyl-[1,2]oxazolo[5,4-b]pyridin-5-yl)methanone
SMILESCc1noc2ncc(C(=O)N3CC(O)C3)cc12
InChIInChI=1S/C11H11N3O3/c1-6-9-2-7(3-12-10(9)17-13-6)11(16)14-4-8(15)5-14/h2-3,8,15H,4-5H2,1H3
InChIKeyQOSFUSPKYBOQTM-UHFFFAOYSA-N
MW233.23 g/mol
LogP0.35
Rot. Bonds1

About (3-hydroxyazetidin-1-yl)-(3-methyl-[1,2]oxazolo[5,4-b]pyridin-5-yl)methanone

(3-hydroxyazetidin-1-yl)-(3-methyl-[1,2]oxazolo[5,4-b]pyridin-5-yl)methanone (PubChem CID 55178781) has the molecular formula C11H11N3O3 and a molecular weight of 233.23 g/mol. Its IUPAC name is (3-hydroxyazetidin-1-yl)-(3-methyl-[1,2]oxazolo[5,4-b]pyridin-5-yl)methanone.

Molecular Properties

Compound Name(3-hydroxyazetidin-1-yl)-(3-methyl-[1,2]oxazolo[5,4-b]pyridin-5-yl)methanone
PubChem CID55178781
Molecular FormulaC11H11N3O3
Molecular Weight233.23 g/mol
Exact Mass233.08
IUPAC Name(3-hydroxyazetidin-1-yl)-(3-methyl-[1,2]oxazolo[5,4-b]pyridin-5-yl)methanone
SMILESCc1noc2ncc(C(=O)N3CC(O)C3)cc12
InChIInChI=1S/C11H11N3O3/c1-6-9-2-7(3-12-10(9)17-13-6)11(16)14-4-8(15)5-14/h2-3,8,15H,4-5H2,1H3
InChIKeyQOSFUSPKYBOQTM-UHFFFAOYSA-N
XLogP0.35
TPSA79.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.23
LogP ≤ 50.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (3-hydroxyazetidin-1-yl)-(3-methyl-[1,2]oxazolo[5,4-b]pyridin-5-yl)methanone?
The IUPAC name of (3-hydroxyazetidin-1-yl)-(3-methyl-[1,2]oxazolo[5,4-b]pyridin-5-yl)methanone (CID 55178781) is (3-hydroxyazetidin-1-yl)-(3-methyl-[1,2]oxazolo[5,4-b]pyridin-5-yl)methanone.
What is the SMILES notation for (3-hydroxyazetidin-1-yl)-(3-methyl-[1,2]oxazolo[5,4-b]pyridin-5-yl)methanone?
The canonical SMILES for (3-hydroxyazetidin-1-yl)-(3-methyl-[1,2]oxazolo[5,4-b]pyridin-5-yl)methanone is Cc1noc2ncc(C(=O)N3CC(O)C3)cc12.
What is the InChIKey of (3-hydroxyazetidin-1-yl)-(3-methyl-[1,2]oxazolo[5,4-b]pyridin-5-yl)methanone?
The InChIKey is QOSFUSPKYBOQTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3O3/c1-6-9-2-7(3-12-10(9)17-13-6)11(16)14-4-8(15)5-14/h2-3,8,15H,4-5H2,1H3.
What are the key properties of (3-hydroxyazetidin-1-yl)-(3-methyl-[1,2]oxazolo[5,4-b]pyridin-5-yl)methanone?
(3-hydroxyazetidin-1-yl)-(3-methyl-[1,2]oxazolo[5,4-b]pyridin-5-yl)methanone has a molecular weight of 233.23 g/mol, XLogP of 0.35, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3-hydroxyazetidin-1-yl)-(3-methyl-[1,2]oxazolo[5,4-b]pyridin-5-yl)methanone is sourced from PubChem (CID 55178781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).