3-ethoxy-N-[2-methyl-3-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]benzamide

C22H19N3O3 — CID 1216135

IUPAC3-ethoxy-N-[2-methyl-3-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]benzamide
SMILESCCOc1cccc(C(=O)Nc2cccc(-c3nc4ncccc4o3)c2C)c1
InChIInChI=1S/C22H19N3O3/c1-3-27-16-8-4-7-15(13-16)21(26)24-18-10-5-9-17(14(18)2)22-25-20-19(28-22)11-6-12-23-20/h4-13H,3H2,1-2H3,(H,24,26)
InChIKeyDLPZOOSOWNYQGJ-UHFFFAOYSA-N
MW373.41 g/mol
LogP4.85
Rot. Bonds5

About 3-ethoxy-N-[2-methyl-3-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]benzamide

3-ethoxy-N-[2-methyl-3-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]benzamide (PubChem CID 1216135) has the molecular formula C22H19N3O3 and a molecular weight of 373.41 g/mol. Its IUPAC name is 3-ethoxy-N-[2-methyl-3-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]benzamide.

Molecular Properties

Compound Name3-ethoxy-N-[2-methyl-3-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]benzamide
PubChem CID1216135
Molecular FormulaC22H19N3O3
Molecular Weight373.41 g/mol
Exact Mass373.14
IUPAC Name3-ethoxy-N-[2-methyl-3-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]benzamide
SMILESCCOc1cccc(C(=O)Nc2cccc(-c3nc4ncccc4o3)c2C)c1
InChIInChI=1S/C22H19N3O3/c1-3-27-16-8-4-7-15(13-16)21(26)24-18-10-5-9-17(14(18)2)22-25-20-19(28-22)11-6-12-23-20/h4-13H,3H2,1-2H3,(H,24,26)
InChIKeyDLPZOOSOWNYQGJ-UHFFFAOYSA-N
XLogP4.85
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 ≤ 54.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-N-[2-methyl-3-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]benzamide?
The IUPAC name of 3-ethoxy-N-[2-methyl-3-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]benzamide (CID 1216135) is 3-ethoxy-N-[2-methyl-3-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]benzamide.
What is the SMILES notation for 3-ethoxy-N-[2-methyl-3-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]benzamide?
The canonical SMILES for 3-ethoxy-N-[2-methyl-3-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]benzamide is CCOc1cccc(C(=O)Nc2cccc(-c3nc4ncccc4o3)c2C)c1.
What is the InChIKey of 3-ethoxy-N-[2-methyl-3-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]benzamide?
The InChIKey is DLPZOOSOWNYQGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N3O3/c1-3-27-16-8-4-7-15(13-16)21(26)24-18-10-5-9-17(14(18)2)22-25-20-19(28-22)11-6-12-23-20/h4-13H,3H2,1-2H3,(H,24,26).
What are the key properties of 3-ethoxy-N-[2-methyl-3-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]benzamide?
3-ethoxy-N-[2-methyl-3-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]benzamide has a molecular weight of 373.41 g/mol, XLogP of 4.85, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-N-[2-methyl-3-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]benzamide is sourced from PubChem (CID 1216135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).