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

C23H15F4N3O2 — CID 57417861

IUPACN-[3-[4-fluoro-3-(trifluoromethyl)phenyl]-4-pyridin-4-yl-1,2-oxazol-5-yl]-2-phenylacetamide
SMILESO=C(Cc1ccccc1)Nc1onc(-c2ccc(F)c(C(F)(F)F)c2)c1-c1ccncc1
InChIInChI=1S/C23H15F4N3O2/c24-18-7-6-16(13-17(18)23(25,26)27)21-20(15-8-10-28-11-9-15)22(32-30-21)29-19(31)12-14-4-2-1-3-5-14/h1-11,13H,12H2,(H,29,31)
InChIKeyBKSHJVKLIUENOL-UHFFFAOYSA-N
MW441.38 g/mol
LogP5.74
Rot. Bonds5

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

N-[3-[4-fluoro-3-(trifluoromethyl)phenyl]-4-pyridin-4-yl-1,2-oxazol-5-yl]-2-phenylacetamide (PubChem CID 57417861) has the molecular formula C23H15F4N3O2 and a molecular weight of 441.38 g/mol. Its IUPAC name is N-[3-[4-fluoro-3-(trifluoromethyl)phenyl]-4-pyridin-4-yl-1,2-oxazol-5-yl]-2-phenylacetamide.

Molecular Properties

Compound NameN-[3-[4-fluoro-3-(trifluoromethyl)phenyl]-4-pyridin-4-yl-1,2-oxazol-5-yl]-2-phenylacetamide
PubChem CID57417861
Molecular FormulaC23H15F4N3O2
Molecular Weight441.38 g/mol
Exact Mass441.11
IUPAC NameN-[3-[4-fluoro-3-(trifluoromethyl)phenyl]-4-pyridin-4-yl-1,2-oxazol-5-yl]-2-phenylacetamide
SMILESO=C(Cc1ccccc1)Nc1onc(-c2ccc(F)c(C(F)(F)F)c2)c1-c1ccncc1
InChIInChI=1S/C23H15F4N3O2/c24-18-7-6-16(13-17(18)23(25,26)27)21-20(15-8-10-28-11-9-15)22(32-30-21)29-19(31)12-14-4-2-1-3-5-14/h1-11,13H,12H2,(H,29,31)
InChIKeyBKSHJVKLIUENOL-UHFFFAOYSA-N
XLogP5.74
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500441.38
LogP ≤ 55.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[3-[4-fluoro-3-(trifluoromethyl)phenyl]-4-pyridin-4-yl-1,2-oxazol-5-yl]-2-phenylacetamide?
The IUPAC name of N-[3-[4-fluoro-3-(trifluoromethyl)phenyl]-4-pyridin-4-yl-1,2-oxazol-5-yl]-2-phenylacetamide (CID 57417861) is N-[3-[4-fluoro-3-(trifluoromethyl)phenyl]-4-pyridin-4-yl-1,2-oxazol-5-yl]-2-phenylacetamide.
What is the SMILES notation for N-[3-[4-fluoro-3-(trifluoromethyl)phenyl]-4-pyridin-4-yl-1,2-oxazol-5-yl]-2-phenylacetamide?
The canonical SMILES for N-[3-[4-fluoro-3-(trifluoromethyl)phenyl]-4-pyridin-4-yl-1,2-oxazol-5-yl]-2-phenylacetamide is O=C(Cc1ccccc1)Nc1onc(-c2ccc(F)c(C(F)(F)F)c2)c1-c1ccncc1.
What is the InChIKey of N-[3-[4-fluoro-3-(trifluoromethyl)phenyl]-4-pyridin-4-yl-1,2-oxazol-5-yl]-2-phenylacetamide?
The InChIKey is BKSHJVKLIUENOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H15F4N3O2/c24-18-7-6-16(13-17(18)23(25,26)27)21-20(15-8-10-28-11-9-15)22(32-30-21)29-19(31)12-14-4-2-1-3-5-14/h1-11,13H,12H2,(H,29,31).
What are the key properties of N-[3-[4-fluoro-3-(trifluoromethyl)phenyl]-4-pyridin-4-yl-1,2-oxazol-5-yl]-2-phenylacetamide?
N-[3-[4-fluoro-3-(trifluoromethyl)phenyl]-4-pyridin-4-yl-1,2-oxazol-5-yl]-2-phenylacetamide has a molecular weight of 441.38 g/mol, XLogP of 5.74, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[4-fluoro-3-(trifluoromethyl)phenyl]-4-pyridin-4-yl-1,2-oxazol-5-yl]-2-phenylacetamide is sourced from PubChem (CID 57417861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).