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

C20H15N3O3S — CID 135648933

IUPACN-[4-hydroxy-3-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]-2-phenylsulfanylacetamide
SMILESO=C(CSc1ccccc1)Nc1ccc(O)c(-c2nc3ncccc3o2)c1
InChIInChI=1S/C20H15N3O3S/c24-16-9-8-13(22-18(25)12-27-14-5-2-1-3-6-14)11-15(16)20-23-19-17(26-20)7-4-10-21-19/h1-11,24H,12H2,(H,22,25)
InChIKeyDUYIWIHKAHZUAH-UHFFFAOYSA-N
MW377.43 g/mol
LogP4.33
Rot. Bonds5

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

N-[4-hydroxy-3-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]-2-phenylsulfanylacetamide (PubChem CID 135648933) has the molecular formula C20H15N3O3S and a molecular weight of 377.43 g/mol. Its IUPAC name is N-[4-hydroxy-3-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]-2-phenylsulfanylacetamide.

Molecular Properties

Compound NameN-[4-hydroxy-3-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]-2-phenylsulfanylacetamide
PubChem CID135648933
Molecular FormulaC20H15N3O3S
Molecular Weight377.43 g/mol
Exact Mass377.08
IUPAC NameN-[4-hydroxy-3-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]-2-phenylsulfanylacetamide
SMILESO=C(CSc1ccccc1)Nc1ccc(O)c(-c2nc3ncccc3o2)c1
InChIInChI=1S/C20H15N3O3S/c24-16-9-8-13(22-18(25)12-27-14-5-2-1-3-6-14)11-15(16)20-23-19-17(26-20)7-4-10-21-19/h1-11,24H,12H2,(H,22,25)
InChIKeyDUYIWIHKAHZUAH-UHFFFAOYSA-N
XLogP4.33
TPSA88.25 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.43
LogP ≤ 54.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroquinone', 'substructure': 'N/A'}

Analyze N-[4-hydroxy-3-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]-2-phenylsulfanylacetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[4-hydroxy-3-methyl-5-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]-2-phenylsulfanylacetamide
CID 135644763
N-[4-hydroxy-3-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 135629625
N-[4-chloro-3-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]-2-(2-chlorophenoxy)acetamide
CID 4008641
N-(3-chlorophenyl)-2-([1,3]oxazolo[4,5-b]pyridin-2-ylsulfanyl)acetamide
CID 20948919
4-amino-2-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenol
CID 936032
N-[3-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]-2-(4-phenylphenoxy)acetamide
CID 155518441
N-[4-chloro-3-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]-2-(4-methoxyphenoxy)acetamide
CID 3161491
N-[4-chloro-3-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]-1-phenylcyclopentane-1-carboxamide
CID 25239444
N-(4-acetylphenyl)-2-([1,3]oxazolo[4,5-b]pyridin-2-ylsulfanyl)acetamide
CID 20939901
N-[4-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]-2-phenoxyacetamide
CID 712713
N-(4-tert-butylphenyl)-2-([1,3]oxazolo[4,5-b]pyridin-2-ylsulfanyl)acetamide
CID 22587560
N-[4-hydroxy-3-methyl-5-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]pentanamide
CID 135579607

Frequently Asked Questions

What is the IUPAC name of N-[4-hydroxy-3-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]-2-phenylsulfanylacetamide?
The IUPAC name of N-[4-hydroxy-3-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]-2-phenylsulfanylacetamide (CID 135648933) is N-[4-hydroxy-3-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]-2-phenylsulfanylacetamide.
What is the SMILES notation for N-[4-hydroxy-3-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]-2-phenylsulfanylacetamide?
The canonical SMILES for N-[4-hydroxy-3-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]-2-phenylsulfanylacetamide is O=C(CSc1ccccc1)Nc1ccc(O)c(-c2nc3ncccc3o2)c1.
What is the InChIKey of N-[4-hydroxy-3-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]-2-phenylsulfanylacetamide?
The InChIKey is DUYIWIHKAHZUAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15N3O3S/c24-16-9-8-13(22-18(25)12-27-14-5-2-1-3-6-14)11-15(16)20-23-19-17(26-20)7-4-10-21-19/h1-11,24H,12H2,(H,22,25).
What are the key properties of N-[4-hydroxy-3-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]-2-phenylsulfanylacetamide?
N-[4-hydroxy-3-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]-2-phenylsulfanylacetamide has a molecular weight of 377.43 g/mol, XLogP of 4.33, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-hydroxy-3-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]-2-phenylsulfanylacetamide is sourced from PubChem (CID 135648933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).