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

C15H19N3O2 — CID 118740664

IUPACazetidin-1-yl-[3-(2,2-dimethylpropyl)-[1,2]oxazolo[5,4-b]pyridin-5-yl]methanone
SMILESCC(C)(C)Cc1noc2ncc(C(=O)N3CCC3)cc12
InChIInChI=1S/C15H19N3O2/c1-15(2,3)8-12-11-7-10(9-16-13(11)20-17-12)14(19)18-5-4-6-18/h7,9H,4-6,8H2,1-3H3
InChIKeyGTRZBYJTTGLIDY-UHFFFAOYSA-N
MW273.34 g/mol
LogP2.66
Rot. Bonds2

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

azetidin-1-yl-[3-(2,2-dimethylpropyl)-[1,2]oxazolo[5,4-b]pyridin-5-yl]methanone (PubChem CID 118740664) has the molecular formula C15H19N3O2 and a molecular weight of 273.34 g/mol. Its IUPAC name is azetidin-1-yl-[3-(2,2-dimethylpropyl)-[1,2]oxazolo[5,4-b]pyridin-5-yl]methanone.

Molecular Properties

Compound Nameazetidin-1-yl-[3-(2,2-dimethylpropyl)-[1,2]oxazolo[5,4-b]pyridin-5-yl]methanone
PubChem CID118740664
Molecular FormulaC15H19N3O2
Molecular Weight273.34 g/mol
Exact Mass273.15
IUPAC Nameazetidin-1-yl-[3-(2,2-dimethylpropyl)-[1,2]oxazolo[5,4-b]pyridin-5-yl]methanone
SMILESCC(C)(C)Cc1noc2ncc(C(=O)N3CCC3)cc12
InChIInChI=1S/C15H19N3O2/c1-15(2,3)8-12-11-7-10(9-16-13(11)20-17-12)14(19)18-5-4-6-18/h7,9H,4-6,8H2,1-3H3
InChIKeyGTRZBYJTTGLIDY-UHFFFAOYSA-N
XLogP2.66
TPSA59.23 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of azetidin-1-yl-[3-(2,2-dimethylpropyl)-[1,2]oxazolo[5,4-b]pyridin-5-yl]methanone?
The IUPAC name of azetidin-1-yl-[3-(2,2-dimethylpropyl)-[1,2]oxazolo[5,4-b]pyridin-5-yl]methanone (CID 118740664) is azetidin-1-yl-[3-(2,2-dimethylpropyl)-[1,2]oxazolo[5,4-b]pyridin-5-yl]methanone.
What is the SMILES notation for azetidin-1-yl-[3-(2,2-dimethylpropyl)-[1,2]oxazolo[5,4-b]pyridin-5-yl]methanone?
The canonical SMILES for azetidin-1-yl-[3-(2,2-dimethylpropyl)-[1,2]oxazolo[5,4-b]pyridin-5-yl]methanone is CC(C)(C)Cc1noc2ncc(C(=O)N3CCC3)cc12.
What is the InChIKey of azetidin-1-yl-[3-(2,2-dimethylpropyl)-[1,2]oxazolo[5,4-b]pyridin-5-yl]methanone?
The InChIKey is GTRZBYJTTGLIDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2/c1-15(2,3)8-12-11-7-10(9-16-13(11)20-17-12)14(19)18-5-4-6-18/h7,9H,4-6,8H2,1-3H3.
What are the key properties of azetidin-1-yl-[3-(2,2-dimethylpropyl)-[1,2]oxazolo[5,4-b]pyridin-5-yl]methanone?
azetidin-1-yl-[3-(2,2-dimethylpropyl)-[1,2]oxazolo[5,4-b]pyridin-5-yl]methanone has a molecular weight of 273.34 g/mol, XLogP of 2.66, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for azetidin-1-yl-[3-(2,2-dimethylpropyl)-[1,2]oxazolo[5,4-b]pyridin-5-yl]methanone is sourced from PubChem (CID 118740664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).