2-(4-chlorophenoxy)-N-[4-hydroxy-3-([1,3]oxazolo[4,5-c]pyridin-2-yl)phenyl]acetamide

C20H14ClN3O4 — CID 135654510

IUPAC2-(4-chlorophenoxy)-N-[4-hydroxy-3-([1,3]oxazolo[4,5-c]pyridin-2-yl)phenyl]acetamide
SMILESO=C(COc1ccc(Cl)cc1)Nc1ccc(O)c(-c2nc3cnccc3o2)c1
InChIInChI=1S/C20H14ClN3O4/c21-12-1-4-14(5-2-12)27-11-19(26)23-13-3-6-17(25)15(9-13)20-24-16-10-22-8-7-18(16)28-20/h1-10,25H,11H2,(H,23,26)
InChIKeyCFLBBGRGOMTJFF-UHFFFAOYSA-N
MW395.80 g/mol
LogP4.27
Rot. Bonds5

About 2-(4-chlorophenoxy)-N-[4-hydroxy-3-([1,3]oxazolo[4,5-c]pyridin-2-yl)phenyl]acetamide

2-(4-chlorophenoxy)-N-[4-hydroxy-3-([1,3]oxazolo[4,5-c]pyridin-2-yl)phenyl]acetamide (PubChem CID 135654510) has the molecular formula C20H14ClN3O4 and a molecular weight of 395.80 g/mol. Its IUPAC name is 2-(4-chlorophenoxy)-N-[4-hydroxy-3-([1,3]oxazolo[4,5-c]pyridin-2-yl)phenyl]acetamide.

Molecular Properties

Compound Name2-(4-chlorophenoxy)-N-[4-hydroxy-3-([1,3]oxazolo[4,5-c]pyridin-2-yl)phenyl]acetamide
PubChem CID135654510
Molecular FormulaC20H14ClN3O4
Molecular Weight395.80 g/mol
Exact Mass395.07
IUPAC Name2-(4-chlorophenoxy)-N-[4-hydroxy-3-([1,3]oxazolo[4,5-c]pyridin-2-yl)phenyl]acetamide
SMILESO=C(COc1ccc(Cl)cc1)Nc1ccc(O)c(-c2nc3cnccc3o2)c1
InChIInChI=1S/C20H14ClN3O4/c21-12-1-4-14(5-2-12)27-11-19(26)23-13-3-6-17(25)15(9-13)20-24-16-10-22-8-7-18(16)28-20/h1-10,25H,11H2,(H,23,26)
InChIKeyCFLBBGRGOMTJFF-UHFFFAOYSA-N
XLogP4.27
TPSA97.48 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.80
LogP ≤ 54.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-(4-chlorophenyl)-N-[3-hydroxy-4-([1,3]oxazolo[4,5-c]pyridin-2-yl)phenyl]acetamide
CID 135655820
2-(4-bromophenoxy)-N-[4-hydroxy-3-(5-methyl-1,3-benzoxazol-2-yl)phenyl]acetamide
CID 135625532
N-[3-(1,3-benzoxazol-2-yl)-4-hydroxyphenyl]-2-(4-chloro-2-methylphenoxy)acetamide
CID 2282003
N-[4-(1,3-benzoxazol-2-yl)-3-hydroxyphenyl]-2-phenoxyacetamide
CID 1123594
3-chloro-N-[4-hydroxy-3-([1,3]oxazolo[4,5-c]pyridin-2-yl)phenyl]-4-methoxybenzamide
CID 135655445
5-bromo-N-[4-hydroxy-3-([1,3]oxazolo[4,5-c]pyridin-2-yl)phenyl]furan-2-carboxamide
CID 135655007
N-[4-(1,3-benzoxazol-2-yl)-3-hydroxyphenyl]-2-(4-bromophenoxy)acetamide
CID 1362317
N-[3-(5-chloro-1,3-benzoxazol-2-yl)-4-hydroxyphenyl]pyridine-3-carboxamide
CID 1389021
2-(2,4-dimethylphenoxy)-N-[4-hydroxy-3-(5-methyl-1,3-benzoxazol-2-yl)phenyl]acetamide
CID 135843357
N-[3-hydroxy-4-([1,3]oxazolo[4,5-c]pyridin-2-yl)phenyl]acetamide
CID 135658749
N-[4-(5-chloro-1,3-benzoxazol-2-yl)phenyl]-2-(4-fluorophenoxy)acetamide
CID 46230595
2-(4-chlorophenoxy)-N-[4-(5-propan-2-yl-1,3-benzoxazol-2-yl)phenyl]acetamide
CID 3498048

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenoxy)-N-[4-hydroxy-3-([1,3]oxazolo[4,5-c]pyridin-2-yl)phenyl]acetamide?
The IUPAC name of 2-(4-chlorophenoxy)-N-[4-hydroxy-3-([1,3]oxazolo[4,5-c]pyridin-2-yl)phenyl]acetamide (CID 135654510) is 2-(4-chlorophenoxy)-N-[4-hydroxy-3-([1,3]oxazolo[4,5-c]pyridin-2-yl)phenyl]acetamide.
What is the SMILES notation for 2-(4-chlorophenoxy)-N-[4-hydroxy-3-([1,3]oxazolo[4,5-c]pyridin-2-yl)phenyl]acetamide?
The canonical SMILES for 2-(4-chlorophenoxy)-N-[4-hydroxy-3-([1,3]oxazolo[4,5-c]pyridin-2-yl)phenyl]acetamide is O=C(COc1ccc(Cl)cc1)Nc1ccc(O)c(-c2nc3cnccc3o2)c1.
What is the InChIKey of 2-(4-chlorophenoxy)-N-[4-hydroxy-3-([1,3]oxazolo[4,5-c]pyridin-2-yl)phenyl]acetamide?
The InChIKey is CFLBBGRGOMTJFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14ClN3O4/c21-12-1-4-14(5-2-12)27-11-19(26)23-13-3-6-17(25)15(9-13)20-24-16-10-22-8-7-18(16)28-20/h1-10,25H,11H2,(H,23,26).
What are the key properties of 2-(4-chlorophenoxy)-N-[4-hydroxy-3-([1,3]oxazolo[4,5-c]pyridin-2-yl)phenyl]acetamide?
2-(4-chlorophenoxy)-N-[4-hydroxy-3-([1,3]oxazolo[4,5-c]pyridin-2-yl)phenyl]acetamide has a molecular weight of 395.80 g/mol, XLogP of 4.27, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenoxy)-N-[4-hydroxy-3-([1,3]oxazolo[4,5-c]pyridin-2-yl)phenyl]acetamide is sourced from PubChem (CID 135654510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).