4-fluoro-N-[4-[4-phenyl-5-(trifluoromethyl)-1,3-oxazol-2-yl]phenyl]benzamide

C23H14F4N2O2 — CID 44547579

IUPAC4-fluoro-N-[4-[4-phenyl-5-(trifluoromethyl)-1,3-oxazol-2-yl]phenyl]benzamide
SMILESO=C(Nc1ccc(-c2nc(-c3ccccc3)c(C(F)(F)F)o2)cc1)c1ccc(F)cc1
InChIInChI=1S/C23H14F4N2O2/c24-17-10-6-15(7-11-17)21(30)28-18-12-8-16(9-13-18)22-29-19(14-4-2-1-3-5-14)20(31-22)23(25,26)27/h1-13H,(H,28,30)
InChIKeyHQGKIMOMMVSGSX-UHFFFAOYSA-N
MW426.37 g/mol
LogP6.42
Rot. Bonds4

About 4-fluoro-N-[4-[4-phenyl-5-(trifluoromethyl)-1,3-oxazol-2-yl]phenyl]benzamide

4-fluoro-N-[4-[4-phenyl-5-(trifluoromethyl)-1,3-oxazol-2-yl]phenyl]benzamide (PubChem CID 44547579) has the molecular formula C23H14F4N2O2 and a molecular weight of 426.37 g/mol. Its IUPAC name is 4-fluoro-N-[4-[4-phenyl-5-(trifluoromethyl)-1,3-oxazol-2-yl]phenyl]benzamide.

Molecular Properties

Compound Name4-fluoro-N-[4-[4-phenyl-5-(trifluoromethyl)-1,3-oxazol-2-yl]phenyl]benzamide
PubChem CID44547579
Molecular FormulaC23H14F4N2O2
Molecular Weight426.37 g/mol
Exact Mass426.10
IUPAC Name4-fluoro-N-[4-[4-phenyl-5-(trifluoromethyl)-1,3-oxazol-2-yl]phenyl]benzamide
SMILESO=C(Nc1ccc(-c2nc(-c3ccccc3)c(C(F)(F)F)o2)cc1)c1ccc(F)cc1
InChIInChI=1S/C23H14F4N2O2/c24-17-10-6-15(7-11-17)21(30)28-18-12-8-16(9-13-18)22-29-19(14-4-2-1-3-5-14)20(31-22)23(25,26)27/h1-13H,(H,28,30)
InChIKeyHQGKIMOMMVSGSX-UHFFFAOYSA-N
XLogP6.42
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500426.37
LogP ≤ 56.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,4-difluoro-N-[4-[4-phenyl-5-(trifluoromethyl)-1,3-oxazol-2-yl]phenyl]benzamide
CID 44547730
N-[2-(4-fluorophenyl)-1,3-benzoxazol-5-yl]benzamide
CID 746929
5-[4-[(4-fluorobenzoyl)amino]phenyl]-2-phenyl-N-pyridin-2-yl-1,3-oxazole-4-carboxamide
CID 70168521
N-(4-fluorophenyl)-5-methyl-2-phenyl-1,3-oxazole-4-carboxamide
CID 17393566
N-[4-(phenylcarbamoylamino)phenyl]-4-(5-phenyl-1,3,4-oxadiazol-2-yl)benzamide
CID 24676924
4-benzoyl-N-(4-fluorophenyl)benzamide
CID 2315903
N-[4-(5-chloro-1,3-benzoxazol-2-yl)phenyl]-4-fluorobenzamide
CID 1205346
N-[4-[(1-hydroxy-2-methylpropan-2-yl)amino]phenyl]-2-phenyl-5-(trifluoromethyl)-1,3-oxazole-4-carboxamide
CID 162546274
N-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]-4-phosphanylbenzamide
CID 170150882
4-methyl-N-[4-(4-phenyl-1,3-oxazol-2-yl)phenyl]benzamide
CID 50835495
N-[4-(1,3-benzoxazol-2-yl)phenyl]-4-(trifluoromethoxy)benzamide
CID 16580992
N-[4-(4-phenylphenyl)phenyl]benzamide
CID 59742294

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[4-[4-phenyl-5-(trifluoromethyl)-1,3-oxazol-2-yl]phenyl]benzamide?
The IUPAC name of 4-fluoro-N-[4-[4-phenyl-5-(trifluoromethyl)-1,3-oxazol-2-yl]phenyl]benzamide (CID 44547579) is 4-fluoro-N-[4-[4-phenyl-5-(trifluoromethyl)-1,3-oxazol-2-yl]phenyl]benzamide.
What is the SMILES notation for 4-fluoro-N-[4-[4-phenyl-5-(trifluoromethyl)-1,3-oxazol-2-yl]phenyl]benzamide?
The canonical SMILES for 4-fluoro-N-[4-[4-phenyl-5-(trifluoromethyl)-1,3-oxazol-2-yl]phenyl]benzamide is O=C(Nc1ccc(-c2nc(-c3ccccc3)c(C(F)(F)F)o2)cc1)c1ccc(F)cc1.
What is the InChIKey of 4-fluoro-N-[4-[4-phenyl-5-(trifluoromethyl)-1,3-oxazol-2-yl]phenyl]benzamide?
The InChIKey is HQGKIMOMMVSGSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H14F4N2O2/c24-17-10-6-15(7-11-17)21(30)28-18-12-8-16(9-13-18)22-29-19(14-4-2-1-3-5-14)20(31-22)23(25,26)27/h1-13H,(H,28,30).
What are the key properties of 4-fluoro-N-[4-[4-phenyl-5-(trifluoromethyl)-1,3-oxazol-2-yl]phenyl]benzamide?
4-fluoro-N-[4-[4-phenyl-5-(trifluoromethyl)-1,3-oxazol-2-yl]phenyl]benzamide has a molecular weight of 426.37 g/mol, XLogP of 6.42, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-[4-[4-phenyl-5-(trifluoromethyl)-1,3-oxazol-2-yl]phenyl]benzamide is sourced from PubChem (CID 44547579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).