N-[3-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]phenyl]-4-fluorobenzamide

C23H14Cl2F4N2O2 — CID 162600024

IUPACN-[3-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]phenyl]-4-fluorobenzamide
SMILESO=C(Nc1cccc(C2=NOC(c3cc(Cl)cc(Cl)c3)(C(F)(F)F)C2)c1)c1ccc(F)cc1
InChIInChI=1S/C23H14Cl2F4N2O2/c24-16-9-15(10-17(25)11-16)22(23(27,28)29)12-20(31-33-22)14-2-1-3-19(8-14)30-21(32)13-4-6-18(26)7-5-13/h1-11H,12H2,(H,30,32)
InChIKeyZMKSJBIKOYLWSK-UHFFFAOYSA-N
MW497.28 g/mol
LogP6.97
Rot. Bonds4

About N-[3-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]phenyl]-4-fluorobenzamide

N-[3-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]phenyl]-4-fluorobenzamide (PubChem CID 162600024) has the molecular formula C23H14Cl2F4N2O2 and a molecular weight of 497.28 g/mol. Its IUPAC name is N-[3-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]phenyl]-4-fluorobenzamide.

Molecular Properties

Compound NameN-[3-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]phenyl]-4-fluorobenzamide
PubChem CID162600024
Molecular FormulaC23H14Cl2F4N2O2
Molecular Weight497.28 g/mol
Exact Mass496.04
IUPAC NameN-[3-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]phenyl]-4-fluorobenzamide
SMILESO=C(Nc1cccc(C2=NOC(c3cc(Cl)cc(Cl)c3)(C(F)(F)F)C2)c1)c1ccc(F)cc1
InChIInChI=1S/C23H14Cl2F4N2O2/c24-16-9-15(10-17(25)11-16)22(23(27,28)29)12-20(31-33-22)14-2-1-3-19(8-14)30-21(32)13-4-6-18(26)7-5-13/h1-11H,12H2,(H,30,32)
InChIKeyZMKSJBIKOYLWSK-UHFFFAOYSA-N
XLogP6.97
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500497.28
LogP ≤ 56.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[3-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]phenyl]-4-fluorobenzamide?
The IUPAC name of N-[3-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]phenyl]-4-fluorobenzamide (CID 162600024) is N-[3-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]phenyl]-4-fluorobenzamide.
What is the SMILES notation for N-[3-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]phenyl]-4-fluorobenzamide?
The canonical SMILES for N-[3-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]phenyl]-4-fluorobenzamide is O=C(Nc1cccc(C2=NOC(c3cc(Cl)cc(Cl)c3)(C(F)(F)F)C2)c1)c1ccc(F)cc1.
What is the InChIKey of N-[3-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]phenyl]-4-fluorobenzamide?
The InChIKey is ZMKSJBIKOYLWSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H14Cl2F4N2O2/c24-16-9-15(10-17(25)11-16)22(23(27,28)29)12-20(31-33-22)14-2-1-3-19(8-14)30-21(32)13-4-6-18(26)7-5-13/h1-11H,12H2,(H,30,32).
What are the key properties of N-[3-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]phenyl]-4-fluorobenzamide?
N-[3-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]phenyl]-4-fluorobenzamide has a molecular weight of 497.28 g/mol, XLogP of 6.97, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]phenyl]-4-fluorobenzamide is sourced from PubChem (CID 162600024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).