N-(3,5-dichloro-4-pyridinyl)-4-hydroxy-3-[(5-methyl-3-phenyl-4H-1,2-oxazol-5-yl)methoxy]benzamide

C23H19Cl2N3O4 — CID 15940958

IUPACN-(3,5-dichloro-4-pyridinyl)-4-hydroxy-3-[(5-methyl-3-phenyl-4H-1,2-oxazol-5-yl)methoxy]benzamide
SMILESCC1(COc2cc(C(=O)Nc3c(Cl)cncc3Cl)ccc2O)CC(c2ccccc2)=NO1
InChIInChI=1S/C23H19Cl2N3O4/c1-23(10-18(28-32-23)14-5-3-2-4-6-14)13-31-20-9-15(7-8-19(20)29)22(30)27-21-16(24)11-26-12-17(21)25/h2-9,11-12,29H,10,13H2,1H3,(H,26,27,30)
InChIKeyFQBXPAJSFOLWNE-UHFFFAOYSA-N
MW472.33 g/mol
LogP5.31
Rot. Bonds6

About N-(3,5-dichloro-4-pyridinyl)-4-hydroxy-3-[(5-methyl-3-phenyl-4H-1,2-oxazol-5-yl)methoxy]benzamide

N-(3,5-dichloro-4-pyridinyl)-4-hydroxy-3-[(5-methyl-3-phenyl-4H-1,2-oxazol-5-yl)methoxy]benzamide (PubChem CID 15940958) has the molecular formula C23H19Cl2N3O4 and a molecular weight of 472.33 g/mol. Its IUPAC name is N-(3,5-dichloro-4-pyridinyl)-4-hydroxy-3-[(5-methyl-3-phenyl-4H-1,2-oxazol-5-yl)methoxy]benzamide.

Molecular Properties

Compound NameN-(3,5-dichloro-4-pyridinyl)-4-hydroxy-3-[(5-methyl-3-phenyl-4H-1,2-oxazol-5-yl)methoxy]benzamide
PubChem CID15940958
Molecular FormulaC23H19Cl2N3O4
Molecular Weight472.33 g/mol
Exact Mass471.08
IUPAC NameN-(3,5-dichloro-4-pyridinyl)-4-hydroxy-3-[(5-methyl-3-phenyl-4H-1,2-oxazol-5-yl)methoxy]benzamide
SMILESCC1(COc2cc(C(=O)Nc3c(Cl)cncc3Cl)ccc2O)CC(c2ccccc2)=NO1
InChIInChI=1S/C23H19Cl2N3O4/c1-23(10-18(28-32-23)14-5-3-2-4-6-14)13-31-20-9-15(7-8-19(20)29)22(30)27-21-16(24)11-26-12-17(21)25/h2-9,11-12,29H,10,13H2,1H3,(H,26,27,30)
InChIKeyFQBXPAJSFOLWNE-UHFFFAOYSA-N
XLogP5.31
TPSA93.04 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500472.33
LogP ≤ 55.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(3,5-dichloro-4-pyridinyl)-4-hydroxy-3-[(5-methyl-3-phenyl-4H-1,2-oxazol-5-yl)methoxy]benzamide?
The IUPAC name of N-(3,5-dichloro-4-pyridinyl)-4-hydroxy-3-[(5-methyl-3-phenyl-4H-1,2-oxazol-5-yl)methoxy]benzamide (CID 15940958) is N-(3,5-dichloro-4-pyridinyl)-4-hydroxy-3-[(5-methyl-3-phenyl-4H-1,2-oxazol-5-yl)methoxy]benzamide.
What is the SMILES notation for N-(3,5-dichloro-4-pyridinyl)-4-hydroxy-3-[(5-methyl-3-phenyl-4H-1,2-oxazol-5-yl)methoxy]benzamide?
The canonical SMILES for N-(3,5-dichloro-4-pyridinyl)-4-hydroxy-3-[(5-methyl-3-phenyl-4H-1,2-oxazol-5-yl)methoxy]benzamide is CC1(COc2cc(C(=O)Nc3c(Cl)cncc3Cl)ccc2O)CC(c2ccccc2)=NO1.
What is the InChIKey of N-(3,5-dichloro-4-pyridinyl)-4-hydroxy-3-[(5-methyl-3-phenyl-4H-1,2-oxazol-5-yl)methoxy]benzamide?
The InChIKey is FQBXPAJSFOLWNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19Cl2N3O4/c1-23(10-18(28-32-23)14-5-3-2-4-6-14)13-31-20-9-15(7-8-19(20)29)22(30)27-21-16(24)11-26-12-17(21)25/h2-9,11-12,29H,10,13H2,1H3,(H,26,27,30).
What are the key properties of N-(3,5-dichloro-4-pyridinyl)-4-hydroxy-3-[(5-methyl-3-phenyl-4H-1,2-oxazol-5-yl)methoxy]benzamide?
N-(3,5-dichloro-4-pyridinyl)-4-hydroxy-3-[(5-methyl-3-phenyl-4H-1,2-oxazol-5-yl)methoxy]benzamide has a molecular weight of 472.33 g/mol, XLogP of 5.31, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dichloro-4-pyridinyl)-4-hydroxy-3-[(5-methyl-3-phenyl-4H-1,2-oxazol-5-yl)methoxy]benzamide is sourced from PubChem (CID 15940958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).