4-azatricyclo[4.3.1.13,8]undecan-4-yl-[3-(2,2-dimethylpropyl)-[1,2]oxazolo[5,4-b]pyridin-5-yl]methanone

C22H29N3O2 — CID 71883521

IUPAC4-azatricyclo[4.3.1.13,8]undecan-4-yl-[3-(2,2-dimethylpropyl)-[1,2]oxazolo[5,4-b]pyridin-5-yl]methanone
SMILESCC(C)(C)Cc1noc2ncc(C(=O)N3CC4CC5CC(C4)CC3C5)cc12
InChIInChI=1S/C22H29N3O2/c1-22(2,3)10-19-18-9-16(11-23-20(18)27-24-19)21(26)25-12-15-5-13-4-14(6-15)8-17(25)7-13/h9,11,13-15,17H,4-8,10,12H2,1-3H3
InChIKeyLKUMDBCOOOCLGH-UHFFFAOYSA-N
MW367.49 g/mol
LogP4.46
Rot. Bonds2

About 4-azatricyclo[4.3.1.13,8]undecan-4-yl-[3-(2,2-dimethylpropyl)-[1,2]oxazolo[5,4-b]pyridin-5-yl]methanone

4-azatricyclo[4.3.1.13,8]undecan-4-yl-[3-(2,2-dimethylpropyl)-[1,2]oxazolo[5,4-b]pyridin-5-yl]methanone (PubChem CID 71883521) has the molecular formula C22H29N3O2 and a molecular weight of 367.49 g/mol. Its IUPAC name is 4-azatricyclo[4.3.1.13,8]undecan-4-yl-[3-(2,2-dimethylpropyl)-[1,2]oxazolo[5,4-b]pyridin-5-yl]methanone.

Molecular Properties

Compound Name4-azatricyclo[4.3.1.13,8]undecan-4-yl-[3-(2,2-dimethylpropyl)-[1,2]oxazolo[5,4-b]pyridin-5-yl]methanone
PubChem CID71883521
Molecular FormulaC22H29N3O2
Molecular Weight367.49 g/mol
Exact Mass367.23
IUPAC Name4-azatricyclo[4.3.1.13,8]undecan-4-yl-[3-(2,2-dimethylpropyl)-[1,2]oxazolo[5,4-b]pyridin-5-yl]methanone
SMILESCC(C)(C)Cc1noc2ncc(C(=O)N3CC4CC5CC(C4)CC3C5)cc12
InChIInChI=1S/C22H29N3O2/c1-22(2,3)10-19-18-9-16(11-23-20(18)27-24-19)21(26)25-12-15-5-13-4-14(6-15)8-17(25)7-13/h9,11,13-15,17H,4-8,10,12H2,1-3H3
InChIKeyLKUMDBCOOOCLGH-UHFFFAOYSA-N
XLogP4.46
TPSA59.23 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.49
LogP ≤ 54.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-azatricyclo[4.3.1.13,8]undecan-4-yl-[3-(2,2-dimethylpropyl)-[1,2]oxazolo[5,4-b]pyridin-5-yl]methanone?
The IUPAC name of 4-azatricyclo[4.3.1.13,8]undecan-4-yl-[3-(2,2-dimethylpropyl)-[1,2]oxazolo[5,4-b]pyridin-5-yl]methanone (CID 71883521) is 4-azatricyclo[4.3.1.13,8]undecan-4-yl-[3-(2,2-dimethylpropyl)-[1,2]oxazolo[5,4-b]pyridin-5-yl]methanone.
What is the SMILES notation for 4-azatricyclo[4.3.1.13,8]undecan-4-yl-[3-(2,2-dimethylpropyl)-[1,2]oxazolo[5,4-b]pyridin-5-yl]methanone?
The canonical SMILES for 4-azatricyclo[4.3.1.13,8]undecan-4-yl-[3-(2,2-dimethylpropyl)-[1,2]oxazolo[5,4-b]pyridin-5-yl]methanone is CC(C)(C)Cc1noc2ncc(C(=O)N3CC4CC5CC(C4)CC3C5)cc12.
What is the InChIKey of 4-azatricyclo[4.3.1.13,8]undecan-4-yl-[3-(2,2-dimethylpropyl)-[1,2]oxazolo[5,4-b]pyridin-5-yl]methanone?
The InChIKey is LKUMDBCOOOCLGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N3O2/c1-22(2,3)10-19-18-9-16(11-23-20(18)27-24-19)21(26)25-12-15-5-13-4-14(6-15)8-17(25)7-13/h9,11,13-15,17H,4-8,10,12H2,1-3H3.
What are the key properties of 4-azatricyclo[4.3.1.13,8]undecan-4-yl-[3-(2,2-dimethylpropyl)-[1,2]oxazolo[5,4-b]pyridin-5-yl]methanone?
4-azatricyclo[4.3.1.13,8]undecan-4-yl-[3-(2,2-dimethylpropyl)-[1,2]oxazolo[5,4-b]pyridin-5-yl]methanone has a molecular weight of 367.49 g/mol, XLogP of 4.46, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-azatricyclo[4.3.1.13,8]undecan-4-yl-[3-(2,2-dimethylpropyl)-[1,2]oxazolo[5,4-b]pyridin-5-yl]methanone is sourced from PubChem (CID 71883521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).