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

C23H13F5N2O2 — CID 44547730

IUPAC2,4-difluoro-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)cc1F
InChIInChI=1S/C23H13F5N2O2/c24-15-8-11-17(18(25)12-15)21(31)29-16-9-6-14(7-10-16)22-30-19(13-4-2-1-3-5-13)20(32-22)23(26,27)28/h1-12H,(H,29,31)
InChIKeyBXNPFSMPYFZRMM-UHFFFAOYSA-N
MW444.36 g/mol
LogP6.56
Rot. Bonds4

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

2,4-difluoro-N-[4-[4-phenyl-5-(trifluoromethyl)-1,3-oxazol-2-yl]phenyl]benzamide (PubChem CID 44547730) has the molecular formula C23H13F5N2O2 and a molecular weight of 444.36 g/mol. Its IUPAC name is 2,4-difluoro-N-[4-[4-phenyl-5-(trifluoromethyl)-1,3-oxazol-2-yl]phenyl]benzamide.

Molecular Properties

Compound Name2,4-difluoro-N-[4-[4-phenyl-5-(trifluoromethyl)-1,3-oxazol-2-yl]phenyl]benzamide
PubChem CID44547730
Molecular FormulaC23H13F5N2O2
Molecular Weight444.36 g/mol
Exact Mass444.09
IUPAC Name2,4-difluoro-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)cc1F
InChIInChI=1S/C23H13F5N2O2/c24-15-8-11-17(18(25)12-15)21(31)29-16-9-6-14(7-10-16)22-30-19(13-4-2-1-3-5-13)20(32-22)23(26,27)28/h1-12H,(H,29,31)
InChIKeyBXNPFSMPYFZRMM-UHFFFAOYSA-N
XLogP6.56
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500444.36
LogP ≤ 56.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2,4-difluoro-N-[4-[4-phenyl-5-(trifluoromethyl)-1,3-oxazol-2-yl]phenyl]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2,4-difluoro-N-[4-[4-phenyl-5-(trifluoromethyl)-1,3-oxazol-2-yl]phenyl]benzamide?
The IUPAC name of 2,4-difluoro-N-[4-[4-phenyl-5-(trifluoromethyl)-1,3-oxazol-2-yl]phenyl]benzamide (CID 44547730) is 2,4-difluoro-N-[4-[4-phenyl-5-(trifluoromethyl)-1,3-oxazol-2-yl]phenyl]benzamide.
What is the SMILES notation for 2,4-difluoro-N-[4-[4-phenyl-5-(trifluoromethyl)-1,3-oxazol-2-yl]phenyl]benzamide?
The canonical SMILES for 2,4-difluoro-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)cc1F.
What is the InChIKey of 2,4-difluoro-N-[4-[4-phenyl-5-(trifluoromethyl)-1,3-oxazol-2-yl]phenyl]benzamide?
The InChIKey is BXNPFSMPYFZRMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H13F5N2O2/c24-15-8-11-17(18(25)12-15)21(31)29-16-9-6-14(7-10-16)22-30-19(13-4-2-1-3-5-13)20(32-22)23(26,27)28/h1-12H,(H,29,31).
What are the key properties of 2,4-difluoro-N-[4-[4-phenyl-5-(trifluoromethyl)-1,3-oxazol-2-yl]phenyl]benzamide?
2,4-difluoro-N-[4-[4-phenyl-5-(trifluoromethyl)-1,3-oxazol-2-yl]phenyl]benzamide has a molecular weight of 444.36 g/mol, XLogP of 6.56, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-difluoro-N-[4-[4-phenyl-5-(trifluoromethyl)-1,3-oxazol-2-yl]phenyl]benzamide is sourced from PubChem (CID 44547730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).