(4R)-4-[2-(trifluoromethyl)phenyl]-2-[6-[(4R)-4-[2-(trifluoromethyl)phenyl]-4,5-dihydro-1,3-oxazol-2-yl]-2-pyridinyl]-4,5-dihydro-1,3-oxazole

C25H17F6N3O2 — CID 165437850

IUPAC(4R)-4-[2-(trifluoromethyl)phenyl]-2-[6-[(4R)-4-[2-(trifluoromethyl)phenyl]-4,5-dihydro-1,3-oxazol-2-yl]-2-pyridinyl]-4,5-dihydro-1,3-oxazole
SMILESFC(F)(F)c1ccccc1[C@@H]1COC(c2cccc(C3=N[C@H](c4ccccc4C(F)(F)F)CO3)n2)=N1
InChIInChI=1S/C25H17F6N3O2/c26-24(27,28)16-8-3-1-6-14(16)20-12-35-22(33-20)18-10-5-11-19(32-18)23-34-21(13-36-23)15-7-2-4-9-17(15)25(29,30)31/h1-11,20-21H,12-13H2/t20-,21-/m0/s1
InChIKeyXYSNLYQDWHDLDU-SFTDATJTSA-N
MW505.42 g/mol
LogP6.16
Rot. Bonds4

About (4R)-4-[2-(trifluoromethyl)phenyl]-2-[6-[(4R)-4-[2-(trifluoromethyl)phenyl]-4,5-dihydro-1,3-oxazol-2-yl]-2-pyridinyl]-4,5-dihydro-1,3-oxazole

(4R)-4-[2-(trifluoromethyl)phenyl]-2-[6-[(4R)-4-[2-(trifluoromethyl)phenyl]-4,5-dihydro-1,3-oxazol-2-yl]-2-pyridinyl]-4,5-dihydro-1,3-oxazole (PubChem CID 165437850) has the molecular formula C25H17F6N3O2 and a molecular weight of 505.42 g/mol. Its IUPAC name is (4R)-4-[2-(trifluoromethyl)phenyl]-2-[6-[(4R)-4-[2-(trifluoromethyl)phenyl]-4,5-dihydro-1,3-oxazol-2-yl]-2-pyridinyl]-4,5-dihydro-1,3-oxazole.

Molecular Properties

Compound Name(4R)-4-[2-(trifluoromethyl)phenyl]-2-[6-[(4R)-4-[2-(trifluoromethyl)phenyl]-4,5-dihydro-1,3-oxazol-2-yl]-2-pyridinyl]-4,5-dihydro-1,3-oxazole
PubChem CID165437850
Molecular FormulaC25H17F6N3O2
Molecular Weight505.42 g/mol
Exact Mass505.12
IUPAC Name(4R)-4-[2-(trifluoromethyl)phenyl]-2-[6-[(4R)-4-[2-(trifluoromethyl)phenyl]-4,5-dihydro-1,3-oxazol-2-yl]-2-pyridinyl]-4,5-dihydro-1,3-oxazole
SMILESFC(F)(F)c1ccccc1[C@@H]1COC(c2cccc(C3=N[C@H](c4ccccc4C(F)(F)F)CO3)n2)=N1
InChIInChI=1S/C25H17F6N3O2/c26-24(27,28)16-8-3-1-6-14(16)20-12-35-22(33-20)18-10-5-11-19(32-18)23-34-21(13-36-23)15-7-2-4-9-17(15)25(29,30)31/h1-11,20-21H,12-13H2/t20-,21-/m0/s1
InChIKeyXYSNLYQDWHDLDU-SFTDATJTSA-N
XLogP6.16
TPSA56.07 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500505.42
LogP ≤ 56.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (4R)-4-[2-(trifluoromethyl)phenyl]-2-[6-[(4R)-4-[2-(trifluoromethyl)phenyl]-4,5-dihydro-1,3-oxazol-2-yl]-2-pyridinyl]-4,5-dihydro-1,3-oxazole with MolForge

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Frequently Asked Questions

What is the IUPAC name of (4R)-4-[2-(trifluoromethyl)phenyl]-2-[6-[(4R)-4-[2-(trifluoromethyl)phenyl]-4,5-dihydro-1,3-oxazol-2-yl]-2-pyridinyl]-4,5-dihydro-1,3-oxazole?
The IUPAC name of (4R)-4-[2-(trifluoromethyl)phenyl]-2-[6-[(4R)-4-[2-(trifluoromethyl)phenyl]-4,5-dihydro-1,3-oxazol-2-yl]-2-pyridinyl]-4,5-dihydro-1,3-oxazole (CID 165437850) is (4R)-4-[2-(trifluoromethyl)phenyl]-2-[6-[(4R)-4-[2-(trifluoromethyl)phenyl]-4,5-dihydro-1,3-oxazol-2-yl]-2-pyridinyl]-4,5-dihydro-1,3-oxazole.
What is the SMILES notation for (4R)-4-[2-(trifluoromethyl)phenyl]-2-[6-[(4R)-4-[2-(trifluoromethyl)phenyl]-4,5-dihydro-1,3-oxazol-2-yl]-2-pyridinyl]-4,5-dihydro-1,3-oxazole?
The canonical SMILES for (4R)-4-[2-(trifluoromethyl)phenyl]-2-[6-[(4R)-4-[2-(trifluoromethyl)phenyl]-4,5-dihydro-1,3-oxazol-2-yl]-2-pyridinyl]-4,5-dihydro-1,3-oxazole is FC(F)(F)c1ccccc1[C@@H]1COC(c2cccc(C3=N[C@H](c4ccccc4C(F)(F)F)CO3)n2)=N1.
What is the InChIKey of (4R)-4-[2-(trifluoromethyl)phenyl]-2-[6-[(4R)-4-[2-(trifluoromethyl)phenyl]-4,5-dihydro-1,3-oxazol-2-yl]-2-pyridinyl]-4,5-dihydro-1,3-oxazole?
The InChIKey is XYSNLYQDWHDLDU-SFTDATJTSA-N. The full InChI is InChI=1S/C25H17F6N3O2/c26-24(27,28)16-8-3-1-6-14(16)20-12-35-22(33-20)18-10-5-11-19(32-18)23-34-21(13-36-23)15-7-2-4-9-17(15)25(29,30)31/h1-11,20-21H,12-13H2/t20-,21-/m0/s1.
What are the key properties of (4R)-4-[2-(trifluoromethyl)phenyl]-2-[6-[(4R)-4-[2-(trifluoromethyl)phenyl]-4,5-dihydro-1,3-oxazol-2-yl]-2-pyridinyl]-4,5-dihydro-1,3-oxazole?
(4R)-4-[2-(trifluoromethyl)phenyl]-2-[6-[(4R)-4-[2-(trifluoromethyl)phenyl]-4,5-dihydro-1,3-oxazol-2-yl]-2-pyridinyl]-4,5-dihydro-1,3-oxazole has a molecular weight of 505.42 g/mol, XLogP of 6.16, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-[2-(trifluoromethyl)phenyl]-2-[6-[(4R)-4-[2-(trifluoromethyl)phenyl]-4,5-dihydro-1,3-oxazol-2-yl]-2-pyridinyl]-4,5-dihydro-1,3-oxazole is sourced from PubChem (CID 165437850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).