3,3,3-trifluoro-1-[3-fluoro-3-[5-[5-(trifluoromethyl)-5-(3,4,5-trifluorophenyl)-2H-1,2-oxazol-3-yl]-2-pyridinyl]azetidin-1-yl]propan-1-one

C21H13F10N3O2 — CID 123812634

IUPAC3,3,3-trifluoro-1-[3-fluoro-3-[5-[5-(trifluoromethyl)-5-(3,4,5-trifluorophenyl)-2H-1,2-oxazol-3-yl]-2-pyridinyl]azetidin-1-yl]propan-1-one
SMILESO=C(CC(F)(F)F)N1CC(F)(c2ccc(C3=CC(c4cc(F)c(F)c(F)c4)(C(F)(F)F)ON3)cn2)C1
InChIInChI=1S/C21H13F10N3O2/c22-12-3-11(4-13(23)17(12)24)19(21(29,30)31)5-14(33-36-19)10-1-2-15(32-7-10)18(25)8-34(9-18)16(35)6-20(26,27)28/h1-5,7,33H,6,8-9H2
InChIKeyOIAPXYXSYKORTL-UHFFFAOYSA-N
MW529.33 g/mol
LogP4.79
Rot. Bonds4

About 3,3,3-trifluoro-1-[3-fluoro-3-[5-[5-(trifluoromethyl)-5-(3,4,5-trifluorophenyl)-2H-1,2-oxazol-3-yl]-2-pyridinyl]azetidin-1-yl]propan-1-one

3,3,3-trifluoro-1-[3-fluoro-3-[5-[5-(trifluoromethyl)-5-(3,4,5-trifluorophenyl)-2H-1,2-oxazol-3-yl]-2-pyridinyl]azetidin-1-yl]propan-1-one (PubChem CID 123812634) has the molecular formula C21H13F10N3O2 and a molecular weight of 529.33 g/mol. Its IUPAC name is 3,3,3-trifluoro-1-[3-fluoro-3-[5-[5-(trifluoromethyl)-5-(3,4,5-trifluorophenyl)-2H-1,2-oxazol-3-yl]-2-pyridinyl]azetidin-1-yl]propan-1-one.

Molecular Properties

Compound Name3,3,3-trifluoro-1-[3-fluoro-3-[5-[5-(trifluoromethyl)-5-(3,4,5-trifluorophenyl)-2H-1,2-oxazol-3-yl]-2-pyridinyl]azetidin-1-yl]propan-1-one
PubChem CID123812634
Molecular FormulaC21H13F10N3O2
Molecular Weight529.33 g/mol
Exact Mass529.08
IUPAC Name3,3,3-trifluoro-1-[3-fluoro-3-[5-[5-(trifluoromethyl)-5-(3,4,5-trifluorophenyl)-2H-1,2-oxazol-3-yl]-2-pyridinyl]azetidin-1-yl]propan-1-one
SMILESO=C(CC(F)(F)F)N1CC(F)(c2ccc(C3=CC(c4cc(F)c(F)c(F)c4)(C(F)(F)F)ON3)cn2)C1
InChIInChI=1S/C21H13F10N3O2/c22-12-3-11(4-13(23)17(12)24)19(21(29,30)31)5-14(33-36-19)10-1-2-15(32-7-10)18(25)8-34(9-18)16(35)6-20(26,27)28/h1-5,7,33H,6,8-9H2
InChIKeyOIAPXYXSYKORTL-UHFFFAOYSA-N
XLogP4.79
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500529.33
LogP ≤ 54.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

Analyze 3,3,3-trifluoro-1-[3-fluoro-3-[5-[5-(trifluoromethyl)-5-(3,4,5-trifluorophenyl)-2H-1,2-oxazol-3-yl]-2-pyridinyl]azetidin-1-yl]propan-1-one 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 3,3,3-trifluoro-1-[3-fluoro-3-[5-[5-(trifluoromethyl)-5-(3,4,5-trifluorophenyl)-2H-1,2-oxazol-3-yl]-2-pyridinyl]azetidin-1-yl]propan-1-one?
The IUPAC name of 3,3,3-trifluoro-1-[3-fluoro-3-[5-[5-(trifluoromethyl)-5-(3,4,5-trifluorophenyl)-2H-1,2-oxazol-3-yl]-2-pyridinyl]azetidin-1-yl]propan-1-one (CID 123812634) is 3,3,3-trifluoro-1-[3-fluoro-3-[5-[5-(trifluoromethyl)-5-(3,4,5-trifluorophenyl)-2H-1,2-oxazol-3-yl]-2-pyridinyl]azetidin-1-yl]propan-1-one.
What is the SMILES notation for 3,3,3-trifluoro-1-[3-fluoro-3-[5-[5-(trifluoromethyl)-5-(3,4,5-trifluorophenyl)-2H-1,2-oxazol-3-yl]-2-pyridinyl]azetidin-1-yl]propan-1-one?
The canonical SMILES for 3,3,3-trifluoro-1-[3-fluoro-3-[5-[5-(trifluoromethyl)-5-(3,4,5-trifluorophenyl)-2H-1,2-oxazol-3-yl]-2-pyridinyl]azetidin-1-yl]propan-1-one is O=C(CC(F)(F)F)N1CC(F)(c2ccc(C3=CC(c4cc(F)c(F)c(F)c4)(C(F)(F)F)ON3)cn2)C1.
What is the InChIKey of 3,3,3-trifluoro-1-[3-fluoro-3-[5-[5-(trifluoromethyl)-5-(3,4,5-trifluorophenyl)-2H-1,2-oxazol-3-yl]-2-pyridinyl]azetidin-1-yl]propan-1-one?
The InChIKey is OIAPXYXSYKORTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H13F10N3O2/c22-12-3-11(4-13(23)17(12)24)19(21(29,30)31)5-14(33-36-19)10-1-2-15(32-7-10)18(25)8-34(9-18)16(35)6-20(26,27)28/h1-5,7,33H,6,8-9H2.
What are the key properties of 3,3,3-trifluoro-1-[3-fluoro-3-[5-[5-(trifluoromethyl)-5-(3,4,5-trifluorophenyl)-2H-1,2-oxazol-3-yl]-2-pyridinyl]azetidin-1-yl]propan-1-one?
3,3,3-trifluoro-1-[3-fluoro-3-[5-[5-(trifluoromethyl)-5-(3,4,5-trifluorophenyl)-2H-1,2-oxazol-3-yl]-2-pyridinyl]azetidin-1-yl]propan-1-one has a molecular weight of 529.33 g/mol, XLogP of 4.79, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,3-trifluoro-1-[3-fluoro-3-[5-[5-(trifluoromethyl)-5-(3,4,5-trifluorophenyl)-2H-1,2-oxazol-3-yl]-2-pyridinyl]azetidin-1-yl]propan-1-one is sourced from PubChem (CID 123812634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).