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

C21H17N3O3 — CID 1094286

IUPAC2-(4-methylphenoxy)-N-[4-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]acetamide
SMILESCc1ccc(OCC(=O)Nc2ccc(-c3nc4ncccc4o3)cc2)cc1
InChIInChI=1S/C21H17N3O3/c1-14-4-10-17(11-5-14)26-13-19(25)23-16-8-6-15(7-9-16)21-24-20-18(27-21)3-2-12-22-20/h2-12H,13H2,1H3,(H,23,25)
InChIKeyPZSJAZISEBOWAH-UHFFFAOYSA-N
MW359.39 g/mol
LogP4.22
Rot. Bonds5

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

2-(4-methylphenoxy)-N-[4-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]acetamide (PubChem CID 1094286) has the molecular formula C21H17N3O3 and a molecular weight of 359.39 g/mol. Its IUPAC name is 2-(4-methylphenoxy)-N-[4-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]acetamide.

Molecular Properties

Compound Name2-(4-methylphenoxy)-N-[4-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]acetamide
PubChem CID1094286
Molecular FormulaC21H17N3O3
Molecular Weight359.39 g/mol
Exact Mass359.13
IUPAC Name2-(4-methylphenoxy)-N-[4-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]acetamide
SMILESCc1ccc(OCC(=O)Nc2ccc(-c3nc4ncccc4o3)cc2)cc1
InChIInChI=1S/C21H17N3O3/c1-14-4-10-17(11-5-14)26-13-19(25)23-16-8-6-15(7-9-16)21-24-20-18(27-21)3-2-12-22-20/h2-12H,13H2,1H3,(H,23,25)
InChIKeyPZSJAZISEBOWAH-UHFFFAOYSA-N
XLogP4.22
TPSA77.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.39
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methylphenoxy)-N-[4-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]acetamide?
The IUPAC name of 2-(4-methylphenoxy)-N-[4-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]acetamide (CID 1094286) is 2-(4-methylphenoxy)-N-[4-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]acetamide.
What is the SMILES notation for 2-(4-methylphenoxy)-N-[4-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]acetamide?
The canonical SMILES for 2-(4-methylphenoxy)-N-[4-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]acetamide is Cc1ccc(OCC(=O)Nc2ccc(-c3nc4ncccc4o3)cc2)cc1.
What is the InChIKey of 2-(4-methylphenoxy)-N-[4-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]acetamide?
The InChIKey is PZSJAZISEBOWAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17N3O3/c1-14-4-10-17(11-5-14)26-13-19(25)23-16-8-6-15(7-9-16)21-24-20-18(27-21)3-2-12-22-20/h2-12H,13H2,1H3,(H,23,25).
What are the key properties of 2-(4-methylphenoxy)-N-[4-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]acetamide?
2-(4-methylphenoxy)-N-[4-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]acetamide has a molecular weight of 359.39 g/mol, XLogP of 4.22, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylphenoxy)-N-[4-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]acetamide is sourced from PubChem (CID 1094286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).