N-[4-(2,6-dichlorophenyl)-2-phenyl-1,3-oxazol-5-yl]-2-(4-fluoro-2-hydroxyphenyl)acetamide

C23H15Cl2FN2O3 — CID 139917925

IUPACN-[4-(2,6-dichlorophenyl)-2-phenyl-1,3-oxazol-5-yl]-2-(4-fluoro-2-hydroxyphenyl)acetamide
SMILESO=C(Cc1ccc(F)cc1O)Nc1oc(-c2ccccc2)nc1-c1c(Cl)cccc1Cl
InChIInChI=1S/C23H15Cl2FN2O3/c24-16-7-4-8-17(25)20(16)21-23(31-22(28-21)13-5-2-1-3-6-13)27-19(30)11-14-9-10-15(26)12-18(14)29/h1-10,12,29H,11H2,(H,27,30)
InChIKeyBYBPHZXXGHMFEK-UHFFFAOYSA-N
MW457.29 g/mol
LogP6.34
Rot. Bonds5

About N-[4-(2,6-dichlorophenyl)-2-phenyl-1,3-oxazol-5-yl]-2-(4-fluoro-2-hydroxyphenyl)acetamide

N-[4-(2,6-dichlorophenyl)-2-phenyl-1,3-oxazol-5-yl]-2-(4-fluoro-2-hydroxyphenyl)acetamide (PubChem CID 139917925) has the molecular formula C23H15Cl2FN2O3 and a molecular weight of 457.29 g/mol. Its IUPAC name is N-[4-(2,6-dichlorophenyl)-2-phenyl-1,3-oxazol-5-yl]-2-(4-fluoro-2-hydroxyphenyl)acetamide.

Molecular Properties

Compound NameN-[4-(2,6-dichlorophenyl)-2-phenyl-1,3-oxazol-5-yl]-2-(4-fluoro-2-hydroxyphenyl)acetamide
PubChem CID139917925
Molecular FormulaC23H15Cl2FN2O3
Molecular Weight457.29 g/mol
Exact Mass456.04
IUPAC NameN-[4-(2,6-dichlorophenyl)-2-phenyl-1,3-oxazol-5-yl]-2-(4-fluoro-2-hydroxyphenyl)acetamide
SMILESO=C(Cc1ccc(F)cc1O)Nc1oc(-c2ccccc2)nc1-c1c(Cl)cccc1Cl
InChIInChI=1S/C23H15Cl2FN2O3/c24-16-7-4-8-17(25)20(16)21-23(31-22(28-21)13-5-2-1-3-6-13)27-19(30)11-14-9-10-15(26)12-18(14)29/h1-10,12,29H,11H2,(H,27,30)
InChIKeyBYBPHZXXGHMFEK-UHFFFAOYSA-N
XLogP6.34
TPSA75.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500457.29
LogP ≤ 56.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[4-(2,6-dichlorophenyl)-2-phenyl-1,3-oxazol-5-yl]-2-(4-fluoro-2-hydroxyphenyl)acetamide?
The IUPAC name of N-[4-(2,6-dichlorophenyl)-2-phenyl-1,3-oxazol-5-yl]-2-(4-fluoro-2-hydroxyphenyl)acetamide (CID 139917925) is N-[4-(2,6-dichlorophenyl)-2-phenyl-1,3-oxazol-5-yl]-2-(4-fluoro-2-hydroxyphenyl)acetamide.
What is the SMILES notation for N-[4-(2,6-dichlorophenyl)-2-phenyl-1,3-oxazol-5-yl]-2-(4-fluoro-2-hydroxyphenyl)acetamide?
The canonical SMILES for N-[4-(2,6-dichlorophenyl)-2-phenyl-1,3-oxazol-5-yl]-2-(4-fluoro-2-hydroxyphenyl)acetamide is O=C(Cc1ccc(F)cc1O)Nc1oc(-c2ccccc2)nc1-c1c(Cl)cccc1Cl.
What is the InChIKey of N-[4-(2,6-dichlorophenyl)-2-phenyl-1,3-oxazol-5-yl]-2-(4-fluoro-2-hydroxyphenyl)acetamide?
The InChIKey is BYBPHZXXGHMFEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H15Cl2FN2O3/c24-16-7-4-8-17(25)20(16)21-23(31-22(28-21)13-5-2-1-3-6-13)27-19(30)11-14-9-10-15(26)12-18(14)29/h1-10,12,29H,11H2,(H,27,30).
What are the key properties of N-[4-(2,6-dichlorophenyl)-2-phenyl-1,3-oxazol-5-yl]-2-(4-fluoro-2-hydroxyphenyl)acetamide?
N-[4-(2,6-dichlorophenyl)-2-phenyl-1,3-oxazol-5-yl]-2-(4-fluoro-2-hydroxyphenyl)acetamide has a molecular weight of 457.29 g/mol, XLogP of 6.34, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2,6-dichlorophenyl)-2-phenyl-1,3-oxazol-5-yl]-2-(4-fluoro-2-hydroxyphenyl)acetamide is sourced from PubChem (CID 139917925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).