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

C21H17N3O4 — CID 6496988

IUPACN-[2-methoxy-5-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]-2-phenoxyacetamide
SMILESCOc1ccc(-c2nc3ncccc3o2)cc1NC(=O)COc1ccccc1
InChIInChI=1S/C21H17N3O4/c1-26-17-10-9-14(21-24-20-18(28-21)8-5-11-22-20)12-16(17)23-19(25)13-27-15-6-3-2-4-7-15/h2-12H,13H2,1H3,(H,23,25)
InChIKeyWLXCJYFPPRHEFI-UHFFFAOYSA-N
MW375.38 g/mol
LogP3.92
Rot. Bonds6

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

N-[2-methoxy-5-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]-2-phenoxyacetamide (PubChem CID 6496988) has the molecular formula C21H17N3O4 and a molecular weight of 375.38 g/mol. Its IUPAC name is N-[2-methoxy-5-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]-2-phenoxyacetamide.

Molecular Properties

Compound NameN-[2-methoxy-5-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]-2-phenoxyacetamide
PubChem CID6496988
Molecular FormulaC21H17N3O4
Molecular Weight375.38 g/mol
Exact Mass375.12
IUPAC NameN-[2-methoxy-5-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]-2-phenoxyacetamide
SMILESCOc1ccc(-c2nc3ncccc3o2)cc1NC(=O)COc1ccccc1
InChIInChI=1S/C21H17N3O4/c1-26-17-10-9-14(21-24-20-18(28-21)8-5-11-22-20)12-16(17)23-19(25)13-27-15-6-3-2-4-7-15/h2-12H,13H2,1H3,(H,23,25)
InChIKeyWLXCJYFPPRHEFI-UHFFFAOYSA-N
XLogP3.92
TPSA86.48 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.38
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[2-methoxy-5-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]-2-phenoxyacetamide?
The IUPAC name of N-[2-methoxy-5-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]-2-phenoxyacetamide (CID 6496988) is N-[2-methoxy-5-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]-2-phenoxyacetamide.
What is the SMILES notation for N-[2-methoxy-5-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]-2-phenoxyacetamide?
The canonical SMILES for N-[2-methoxy-5-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]-2-phenoxyacetamide is COc1ccc(-c2nc3ncccc3o2)cc1NC(=O)COc1ccccc1.
What is the InChIKey of N-[2-methoxy-5-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]-2-phenoxyacetamide?
The InChIKey is WLXCJYFPPRHEFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17N3O4/c1-26-17-10-9-14(21-24-20-18(28-21)8-5-11-22-20)12-16(17)23-19(25)13-27-15-6-3-2-4-7-15/h2-12H,13H2,1H3,(H,23,25).
What are the key properties of N-[2-methoxy-5-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]-2-phenoxyacetamide?
N-[2-methoxy-5-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]-2-phenoxyacetamide has a molecular weight of 375.38 g/mol, XLogP of 3.92, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-methoxy-5-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]-2-phenoxyacetamide is sourced from PubChem (CID 6496988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).