2-(3,5-dimethylphenoxy)-N-[3-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]acetamide

C22H19N3O3 — CID 1492665

IUPAC2-(3,5-dimethylphenoxy)-N-[3-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]acetamide
SMILESCc1cc(C)cc(OCC(=O)Nc2cccc(-c3nc4ncccc4o3)c2)c1
InChIInChI=1S/C22H19N3O3/c1-14-9-15(2)11-18(10-14)27-13-20(26)24-17-6-3-5-16(12-17)22-25-21-19(28-22)7-4-8-23-21/h3-12H,13H2,1-2H3,(H,24,26)
InChIKeyYMWAZGQEVPGPNW-UHFFFAOYSA-N
MW373.41 g/mol
LogP4.52
Rot. Bonds5

About 2-(3,5-dimethylphenoxy)-N-[3-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]acetamide

2-(3,5-dimethylphenoxy)-N-[3-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]acetamide (PubChem CID 1492665) has the molecular formula C22H19N3O3 and a molecular weight of 373.41 g/mol. Its IUPAC name is 2-(3,5-dimethylphenoxy)-N-[3-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]acetamide.

Molecular Properties

Compound Name2-(3,5-dimethylphenoxy)-N-[3-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]acetamide
PubChem CID1492665
Molecular FormulaC22H19N3O3
Molecular Weight373.41 g/mol
Exact Mass373.14
IUPAC Name2-(3,5-dimethylphenoxy)-N-[3-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]acetamide
SMILESCc1cc(C)cc(OCC(=O)Nc2cccc(-c3nc4ncccc4o3)c2)c1
InChIInChI=1S/C22H19N3O3/c1-14-9-15(2)11-18(10-14)27-13-20(26)24-17-6-3-5-16(12-17)22-25-21-19(28-22)7-4-8-23-21/h3-12H,13H2,1-2H3,(H,24,26)
InChIKeyYMWAZGQEVPGPNW-UHFFFAOYSA-N
XLogP4.52
TPSA77.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.41
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-(3,5-dimethylphenoxy)-N-[3-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]acetamide 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 2-(3,5-dimethylphenoxy)-N-[3-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]acetamide?
The IUPAC name of 2-(3,5-dimethylphenoxy)-N-[3-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]acetamide (CID 1492665) is 2-(3,5-dimethylphenoxy)-N-[3-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]acetamide.
What is the SMILES notation for 2-(3,5-dimethylphenoxy)-N-[3-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]acetamide?
The canonical SMILES for 2-(3,5-dimethylphenoxy)-N-[3-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]acetamide is Cc1cc(C)cc(OCC(=O)Nc2cccc(-c3nc4ncccc4o3)c2)c1.
What is the InChIKey of 2-(3,5-dimethylphenoxy)-N-[3-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]acetamide?
The InChIKey is YMWAZGQEVPGPNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N3O3/c1-14-9-15(2)11-18(10-14)27-13-20(26)24-17-6-3-5-16(12-17)22-25-21-19(28-22)7-4-8-23-21/h3-12H,13H2,1-2H3,(H,24,26).
What are the key properties of 2-(3,5-dimethylphenoxy)-N-[3-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]acetamide?
2-(3,5-dimethylphenoxy)-N-[3-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]acetamide has a molecular weight of 373.41 g/mol, XLogP of 4.52, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethylphenoxy)-N-[3-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]acetamide is sourced from PubChem (CID 1492665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).