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

C20H14ClN3O3 — CID 1157606

IUPACN-[4-chloro-3-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]-2-phenoxyacetamide
SMILESO=C(COc1ccccc1)Nc1ccc(Cl)c(-c2nc3ncccc3o2)c1
InChIInChI=1S/C20H14ClN3O3/c21-16-9-8-13(23-18(25)12-26-14-5-2-1-3-6-14)11-15(16)20-24-19-17(27-20)7-4-10-22-19/h1-11H,12H2,(H,23,25)
InChIKeySSRPJSVUUOMJAA-UHFFFAOYSA-N
MW379.80 g/mol
LogP4.56
Rot. Bonds5

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

N-[4-chloro-3-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]-2-phenoxyacetamide (PubChem CID 1157606) has the molecular formula C20H14ClN3O3 and a molecular weight of 379.80 g/mol. Its IUPAC name is N-[4-chloro-3-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]-2-phenoxyacetamide.

Molecular Properties

Compound NameN-[4-chloro-3-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]-2-phenoxyacetamide
PubChem CID1157606
Molecular FormulaC20H14ClN3O3
Molecular Weight379.80 g/mol
Exact Mass379.07
IUPAC NameN-[4-chloro-3-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]-2-phenoxyacetamide
SMILESO=C(COc1ccccc1)Nc1ccc(Cl)c(-c2nc3ncccc3o2)c1
InChIInChI=1S/C20H14ClN3O3/c21-16-9-8-13(23-18(25)12-26-14-5-2-1-3-6-14)11-15(16)20-24-19-17(27-20)7-4-10-22-19/h1-11H,12H2,(H,23,25)
InChIKeySSRPJSVUUOMJAA-UHFFFAOYSA-N
XLogP4.56
TPSA77.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.80
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[4-chloro-3-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]-2-phenoxyacetamide?
The IUPAC name of N-[4-chloro-3-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]-2-phenoxyacetamide (CID 1157606) is N-[4-chloro-3-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]-2-phenoxyacetamide.
What is the SMILES notation for N-[4-chloro-3-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]-2-phenoxyacetamide?
The canonical SMILES for N-[4-chloro-3-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]-2-phenoxyacetamide is O=C(COc1ccccc1)Nc1ccc(Cl)c(-c2nc3ncccc3o2)c1.
What is the InChIKey of N-[4-chloro-3-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]-2-phenoxyacetamide?
The InChIKey is SSRPJSVUUOMJAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14ClN3O3/c21-16-9-8-13(23-18(25)12-26-14-5-2-1-3-6-14)11-15(16)20-24-19-17(27-20)7-4-10-22-19/h1-11H,12H2,(H,23,25).
What are the key properties of N-[4-chloro-3-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]-2-phenoxyacetamide?
N-[4-chloro-3-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]-2-phenoxyacetamide has a molecular weight of 379.80 g/mol, XLogP of 4.56, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-chloro-3-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]-2-phenoxyacetamide is sourced from PubChem (CID 1157606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).