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

C25H17F6N3O2 — CID 165437848

IUPAC(4R)-4-[4-(trifluoromethyl)phenyl]-2-[6-[(4R)-4-[4-(trifluoromethyl)phenyl]-4,5-dihydro-1,3-oxazol-2-yl]-2-pyridinyl]-4,5-dihydro-1,3-oxazole
SMILESFC(F)(F)c1ccc([C@@H]2COC(c3cccc(C4=N[C@H](c5ccc(C(F)(F)F)cc5)CO4)n3)=N2)cc1
InChIInChI=1S/C25H17F6N3O2/c26-24(27,28)16-8-4-14(5-9-16)20-12-35-22(33-20)18-2-1-3-19(32-18)23-34-21(13-36-23)15-6-10-17(11-7-15)25(29,30)31/h1-11,20-21H,12-13H2/t20-,21-/m0/s1
InChIKeyRCTVVPYCZVSCOH-SFTDATJTSA-N
MW505.42 g/mol
LogP6.16
Rot. Bonds4

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

(4R)-4-[4-(trifluoromethyl)phenyl]-2-[6-[(4R)-4-[4-(trifluoromethyl)phenyl]-4,5-dihydro-1,3-oxazol-2-yl]-2-pyridinyl]-4,5-dihydro-1,3-oxazole (PubChem CID 165437848) has the molecular formula C25H17F6N3O2 and a molecular weight of 505.42 g/mol. Its IUPAC name is (4R)-4-[4-(trifluoromethyl)phenyl]-2-[6-[(4R)-4-[4-(trifluoromethyl)phenyl]-4,5-dihydro-1,3-oxazol-2-yl]-2-pyridinyl]-4,5-dihydro-1,3-oxazole.

Molecular Properties

Compound Name(4R)-4-[4-(trifluoromethyl)phenyl]-2-[6-[(4R)-4-[4-(trifluoromethyl)phenyl]-4,5-dihydro-1,3-oxazol-2-yl]-2-pyridinyl]-4,5-dihydro-1,3-oxazole
PubChem CID165437848
Molecular FormulaC25H17F6N3O2
Molecular Weight505.42 g/mol
Exact Mass505.12
IUPAC Name(4R)-4-[4-(trifluoromethyl)phenyl]-2-[6-[(4R)-4-[4-(trifluoromethyl)phenyl]-4,5-dihydro-1,3-oxazol-2-yl]-2-pyridinyl]-4,5-dihydro-1,3-oxazole
SMILESFC(F)(F)c1ccc([C@@H]2COC(c3cccc(C4=N[C@H](c5ccc(C(F)(F)F)cc5)CO4)n3)=N2)cc1
InChIInChI=1S/C25H17F6N3O2/c26-24(27,28)16-8-4-14(5-9-16)20-12-35-22(33-20)18-2-1-3-19(32-18)23-34-21(13-36-23)15-6-10-17(11-7-15)25(29,30)31/h1-11,20-21H,12-13H2/t20-,21-/m0/s1
InChIKeyRCTVVPYCZVSCOH-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-[4-(trifluoromethyl)phenyl]-2-[6-[(4R)-4-[4-(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-[4-(trifluoromethyl)phenyl]-2-[6-[(4R)-4-[4-(trifluoromethyl)phenyl]-4,5-dihydro-1,3-oxazol-2-yl]-2-pyridinyl]-4,5-dihydro-1,3-oxazole?
The IUPAC name of (4R)-4-[4-(trifluoromethyl)phenyl]-2-[6-[(4R)-4-[4-(trifluoromethyl)phenyl]-4,5-dihydro-1,3-oxazol-2-yl]-2-pyridinyl]-4,5-dihydro-1,3-oxazole (CID 165437848) is (4R)-4-[4-(trifluoromethyl)phenyl]-2-[6-[(4R)-4-[4-(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-[4-(trifluoromethyl)phenyl]-2-[6-[(4R)-4-[4-(trifluoromethyl)phenyl]-4,5-dihydro-1,3-oxazol-2-yl]-2-pyridinyl]-4,5-dihydro-1,3-oxazole?
The canonical SMILES for (4R)-4-[4-(trifluoromethyl)phenyl]-2-[6-[(4R)-4-[4-(trifluoromethyl)phenyl]-4,5-dihydro-1,3-oxazol-2-yl]-2-pyridinyl]-4,5-dihydro-1,3-oxazole is FC(F)(F)c1ccc([C@@H]2COC(c3cccc(C4=N[C@H](c5ccc(C(F)(F)F)cc5)CO4)n3)=N2)cc1.
What is the InChIKey of (4R)-4-[4-(trifluoromethyl)phenyl]-2-[6-[(4R)-4-[4-(trifluoromethyl)phenyl]-4,5-dihydro-1,3-oxazol-2-yl]-2-pyridinyl]-4,5-dihydro-1,3-oxazole?
The InChIKey is RCTVVPYCZVSCOH-SFTDATJTSA-N. The full InChI is InChI=1S/C25H17F6N3O2/c26-24(27,28)16-8-4-14(5-9-16)20-12-35-22(33-20)18-2-1-3-19(32-18)23-34-21(13-36-23)15-6-10-17(11-7-15)25(29,30)31/h1-11,20-21H,12-13H2/t20-,21-/m0/s1.
What are the key properties of (4R)-4-[4-(trifluoromethyl)phenyl]-2-[6-[(4R)-4-[4-(trifluoromethyl)phenyl]-4,5-dihydro-1,3-oxazol-2-yl]-2-pyridinyl]-4,5-dihydro-1,3-oxazole?
(4R)-4-[4-(trifluoromethyl)phenyl]-2-[6-[(4R)-4-[4-(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-[4-(trifluoromethyl)phenyl]-2-[6-[(4R)-4-[4-(trifluoromethyl)phenyl]-4,5-dihydro-1,3-oxazol-2-yl]-2-pyridinyl]-4,5-dihydro-1,3-oxazole is sourced from PubChem (CID 165437848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).