[3-(2,2-dimethylpropyl)-[1,2]oxazolo[5,4-b]pyridin-5-yl]-[(6S)-2,2,6-trimethylmorpholin-4-yl]methanone

C19H27N3O3 — CID 95159581

IUPAC[3-(2,2-dimethylpropyl)-[1,2]oxazolo[5,4-b]pyridin-5-yl]-[(6S)-2,2,6-trimethylmorpholin-4-yl]methanone
SMILESC[C@H]1CN(C(=O)c2cnc3onc(CC(C)(C)C)c3c2)CC(C)(C)O1
InChIInChI=1S/C19H27N3O3/c1-12-10-22(11-19(5,6)24-12)17(23)13-7-14-15(8-18(2,3)4)21-25-16(14)20-9-13/h7,9,12H,8,10-11H2,1-6H3/t12-/m0/s1
InChIKeyIUVZPSZUNKWIKC-LBPRGKRZSA-N
MW345.44 g/mol
LogP3.45
Rot. Bonds2

About [3-(2,2-dimethylpropyl)-[1,2]oxazolo[5,4-b]pyridin-5-yl]-[(6S)-2,2,6-trimethylmorpholin-4-yl]methanone

[3-(2,2-dimethylpropyl)-[1,2]oxazolo[5,4-b]pyridin-5-yl]-[(6S)-2,2,6-trimethylmorpholin-4-yl]methanone (PubChem CID 95159581) has the molecular formula C19H27N3O3 and a molecular weight of 345.44 g/mol. Its IUPAC name is [3-(2,2-dimethylpropyl)-[1,2]oxazolo[5,4-b]pyridin-5-yl]-[(6S)-2,2,6-trimethylmorpholin-4-yl]methanone.

Molecular Properties

Compound Name[3-(2,2-dimethylpropyl)-[1,2]oxazolo[5,4-b]pyridin-5-yl]-[(6S)-2,2,6-trimethylmorpholin-4-yl]methanone
PubChem CID95159581
Molecular FormulaC19H27N3O3
Molecular Weight345.44 g/mol
Exact Mass345.21
IUPAC Name[3-(2,2-dimethylpropyl)-[1,2]oxazolo[5,4-b]pyridin-5-yl]-[(6S)-2,2,6-trimethylmorpholin-4-yl]methanone
SMILESC[C@H]1CN(C(=O)c2cnc3onc(CC(C)(C)C)c3c2)CC(C)(C)O1
InChIInChI=1S/C19H27N3O3/c1-12-10-22(11-19(5,6)24-12)17(23)13-7-14-15(8-18(2,3)4)21-25-16(14)20-9-13/h7,9,12H,8,10-11H2,1-6H3/t12-/m0/s1
InChIKeyIUVZPSZUNKWIKC-LBPRGKRZSA-N
XLogP3.45
TPSA68.46 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.44
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze [3-(2,2-dimethylpropyl)-[1,2]oxazolo[5,4-b]pyridin-5-yl]-[(6S)-2,2,6-trimethylmorpholin-4-yl]methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [3-(2,2-dimethylpropyl)-[1,2]oxazolo[5,4-b]pyridin-5-yl]-[(6S)-2,2,6-trimethylmorpholin-4-yl]methanone?
The IUPAC name of [3-(2,2-dimethylpropyl)-[1,2]oxazolo[5,4-b]pyridin-5-yl]-[(6S)-2,2,6-trimethylmorpholin-4-yl]methanone (CID 95159581) is [3-(2,2-dimethylpropyl)-[1,2]oxazolo[5,4-b]pyridin-5-yl]-[(6S)-2,2,6-trimethylmorpholin-4-yl]methanone.
What is the SMILES notation for [3-(2,2-dimethylpropyl)-[1,2]oxazolo[5,4-b]pyridin-5-yl]-[(6S)-2,2,6-trimethylmorpholin-4-yl]methanone?
The canonical SMILES for [3-(2,2-dimethylpropyl)-[1,2]oxazolo[5,4-b]pyridin-5-yl]-[(6S)-2,2,6-trimethylmorpholin-4-yl]methanone is C[C@H]1CN(C(=O)c2cnc3onc(CC(C)(C)C)c3c2)CC(C)(C)O1.
What is the InChIKey of [3-(2,2-dimethylpropyl)-[1,2]oxazolo[5,4-b]pyridin-5-yl]-[(6S)-2,2,6-trimethylmorpholin-4-yl]methanone?
The InChIKey is IUVZPSZUNKWIKC-LBPRGKRZSA-N. The full InChI is InChI=1S/C19H27N3O3/c1-12-10-22(11-19(5,6)24-12)17(23)13-7-14-15(8-18(2,3)4)21-25-16(14)20-9-13/h7,9,12H,8,10-11H2,1-6H3/t12-/m0/s1.
What are the key properties of [3-(2,2-dimethylpropyl)-[1,2]oxazolo[5,4-b]pyridin-5-yl]-[(6S)-2,2,6-trimethylmorpholin-4-yl]methanone?
[3-(2,2-dimethylpropyl)-[1,2]oxazolo[5,4-b]pyridin-5-yl]-[(6S)-2,2,6-trimethylmorpholin-4-yl]methanone has a molecular weight of 345.44 g/mol, XLogP of 3.45, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(2,2-dimethylpropyl)-[1,2]oxazolo[5,4-b]pyridin-5-yl]-[(6S)-2,2,6-trimethylmorpholin-4-yl]methanone is sourced from PubChem (CID 95159581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).