(4S)-4-[4-(trifluoromethyl)phenyl]-2-[3-[(4S)-4-[4-(trifluoromethyl)phenyl]-4,5-dihydro-1,3-oxazol-2-yl]-2-[[(4S)-4-[4-(trifluoromethyl)phenyl]-4,5-dihydro-1,3-oxazol-2-yl]methyl]propyl]-4,5-dihydro-1,3-oxazole

C34H28F9N3O3 — CID 15896843

IUPAC(4S)-4-[4-(trifluoromethyl)phenyl]-2-[3-[(4S)-4-[4-(trifluoromethyl)phenyl]-4,5-dihydro-1,3-oxazol-2-yl]-2-[[(4S)-4-[4-(trifluoromethyl)phenyl]-4,5-dihydro-1,3-oxazol-2-yl]methyl]propyl]-4,5-dihydro-1,3-oxazole
SMILESFC(F)(F)c1ccc([C@H]2COC(CC(CC3=N[C@@H](c4ccc(C(F)(F)F)cc4)CO3)CC3=N[C@@H](c4ccc(C(F)(F)F)cc4)CO3)=N2)cc1
InChIInChI=1S/C34H28F9N3O3/c35-32(36,37)23-7-1-20(2-8-23)26-16-47-29(44-26)13-19(14-30-45-27(17-48-30)21-3-9-24(10-4-21)33(38,39)40)15-31-46-28(18-49-31)22-5-11-25(12-6-22)34(41,42)43/h1-12,19,26-28H,13-18H2/t26-,27-,28-/m1/s1
InChIKeyKAZHCSRTWUADEP-JCYYIGJDSA-N
MW697.60 g/mol
LogP9.34
Rot. Bonds9

About (4S)-4-[4-(trifluoromethyl)phenyl]-2-[3-[(4S)-4-[4-(trifluoromethyl)phenyl]-4,5-dihydro-1,3-oxazol-2-yl]-2-[[(4S)-4-[4-(trifluoromethyl)phenyl]-4,5-dihydro-1,3-oxazol-2-yl]methyl]propyl]-4,5-dihydro-1,3-oxazole

(4S)-4-[4-(trifluoromethyl)phenyl]-2-[3-[(4S)-4-[4-(trifluoromethyl)phenyl]-4,5-dihydro-1,3-oxazol-2-yl]-2-[[(4S)-4-[4-(trifluoromethyl)phenyl]-4,5-dihydro-1,3-oxazol-2-yl]methyl]propyl]-4,5-dihydro-1,3-oxazole (PubChem CID 15896843) has the molecular formula C34H28F9N3O3 and a molecular weight of 697.60 g/mol. Its IUPAC name is (4S)-4-[4-(trifluoromethyl)phenyl]-2-[3-[(4S)-4-[4-(trifluoromethyl)phenyl]-4,5-dihydro-1,3-oxazol-2-yl]-2-[[(4S)-4-[4-(trifluoromethyl)phenyl]-4,5-dihydro-1,3-oxazol-2-yl]methyl]propyl]-4,5-dihydro-1,3-oxazole.

Molecular Properties

Compound Name(4S)-4-[4-(trifluoromethyl)phenyl]-2-[3-[(4S)-4-[4-(trifluoromethyl)phenyl]-4,5-dihydro-1,3-oxazol-2-yl]-2-[[(4S)-4-[4-(trifluoromethyl)phenyl]-4,5-dihydro-1,3-oxazol-2-yl]methyl]propyl]-4,5-dihydro-1,3-oxazole
PubChem CID15896843
Molecular FormulaC34H28F9N3O3
Molecular Weight697.60 g/mol
Exact Mass697.20
IUPAC Name(4S)-4-[4-(trifluoromethyl)phenyl]-2-[3-[(4S)-4-[4-(trifluoromethyl)phenyl]-4,5-dihydro-1,3-oxazol-2-yl]-2-[[(4S)-4-[4-(trifluoromethyl)phenyl]-4,5-dihydro-1,3-oxazol-2-yl]methyl]propyl]-4,5-dihydro-1,3-oxazole
SMILESFC(F)(F)c1ccc([C@H]2COC(CC(CC3=N[C@@H](c4ccc(C(F)(F)F)cc4)CO3)CC3=N[C@@H](c4ccc(C(F)(F)F)cc4)CO3)=N2)cc1
InChIInChI=1S/C34H28F9N3O3/c35-32(36,37)23-7-1-20(2-8-23)26-16-47-29(44-26)13-19(14-30-45-27(17-48-30)21-3-9-24(10-4-21)33(38,39)40)15-31-46-28(18-49-31)22-5-11-25(12-6-22)34(41,42)43/h1-12,19,26-28H,13-18H2/t26-,27-,28-/m1/s1
InChIKeyKAZHCSRTWUADEP-JCYYIGJDSA-N
XLogP9.34
TPSA64.77 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500697.60
LogP ≤ 59.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze (4S)-4-[4-(trifluoromethyl)phenyl]-2-[3-[(4S)-4-[4-(trifluoromethyl)phenyl]-4,5-dihydro-1,3-oxazol-2-yl]-2-[[(4S)-4-[4-(trifluoromethyl)phenyl]-4,5-dihydro-1,3-oxazol-2-yl]methyl]propyl]-4,5-dihydro-1,3-oxazole 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 (4S)-4-[4-(trifluoromethyl)phenyl]-2-[3-[(4S)-4-[4-(trifluoromethyl)phenyl]-4,5-dihydro-1,3-oxazol-2-yl]-2-[[(4S)-4-[4-(trifluoromethyl)phenyl]-4,5-dihydro-1,3-oxazol-2-yl]methyl]propyl]-4,5-dihydro-1,3-oxazole?
The IUPAC name of (4S)-4-[4-(trifluoromethyl)phenyl]-2-[3-[(4S)-4-[4-(trifluoromethyl)phenyl]-4,5-dihydro-1,3-oxazol-2-yl]-2-[[(4S)-4-[4-(trifluoromethyl)phenyl]-4,5-dihydro-1,3-oxazol-2-yl]methyl]propyl]-4,5-dihydro-1,3-oxazole (CID 15896843) is (4S)-4-[4-(trifluoromethyl)phenyl]-2-[3-[(4S)-4-[4-(trifluoromethyl)phenyl]-4,5-dihydro-1,3-oxazol-2-yl]-2-[[(4S)-4-[4-(trifluoromethyl)phenyl]-4,5-dihydro-1,3-oxazol-2-yl]methyl]propyl]-4,5-dihydro-1,3-oxazole.
What is the SMILES notation for (4S)-4-[4-(trifluoromethyl)phenyl]-2-[3-[(4S)-4-[4-(trifluoromethyl)phenyl]-4,5-dihydro-1,3-oxazol-2-yl]-2-[[(4S)-4-[4-(trifluoromethyl)phenyl]-4,5-dihydro-1,3-oxazol-2-yl]methyl]propyl]-4,5-dihydro-1,3-oxazole?
The canonical SMILES for (4S)-4-[4-(trifluoromethyl)phenyl]-2-[3-[(4S)-4-[4-(trifluoromethyl)phenyl]-4,5-dihydro-1,3-oxazol-2-yl]-2-[[(4S)-4-[4-(trifluoromethyl)phenyl]-4,5-dihydro-1,3-oxazol-2-yl]methyl]propyl]-4,5-dihydro-1,3-oxazole is FC(F)(F)c1ccc([C@H]2COC(CC(CC3=N[C@@H](c4ccc(C(F)(F)F)cc4)CO3)CC3=N[C@@H](c4ccc(C(F)(F)F)cc4)CO3)=N2)cc1.
What is the InChIKey of (4S)-4-[4-(trifluoromethyl)phenyl]-2-[3-[(4S)-4-[4-(trifluoromethyl)phenyl]-4,5-dihydro-1,3-oxazol-2-yl]-2-[[(4S)-4-[4-(trifluoromethyl)phenyl]-4,5-dihydro-1,3-oxazol-2-yl]methyl]propyl]-4,5-dihydro-1,3-oxazole?
The InChIKey is KAZHCSRTWUADEP-JCYYIGJDSA-N. The full InChI is InChI=1S/C34H28F9N3O3/c35-32(36,37)23-7-1-20(2-8-23)26-16-47-29(44-26)13-19(14-30-45-27(17-48-30)21-3-9-24(10-4-21)33(38,39)40)15-31-46-28(18-49-31)22-5-11-25(12-6-22)34(41,42)43/h1-12,19,26-28H,13-18H2/t26-,27-,28-/m1/s1.
What are the key properties of (4S)-4-[4-(trifluoromethyl)phenyl]-2-[3-[(4S)-4-[4-(trifluoromethyl)phenyl]-4,5-dihydro-1,3-oxazol-2-yl]-2-[[(4S)-4-[4-(trifluoromethyl)phenyl]-4,5-dihydro-1,3-oxazol-2-yl]methyl]propyl]-4,5-dihydro-1,3-oxazole?
(4S)-4-[4-(trifluoromethyl)phenyl]-2-[3-[(4S)-4-[4-(trifluoromethyl)phenyl]-4,5-dihydro-1,3-oxazol-2-yl]-2-[[(4S)-4-[4-(trifluoromethyl)phenyl]-4,5-dihydro-1,3-oxazol-2-yl]methyl]propyl]-4,5-dihydro-1,3-oxazole has a molecular weight of 697.60 g/mol, XLogP of 9.34, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-[4-(trifluoromethyl)phenyl]-2-[3-[(4S)-4-[4-(trifluoromethyl)phenyl]-4,5-dihydro-1,3-oxazol-2-yl]-2-[[(4S)-4-[4-(trifluoromethyl)phenyl]-4,5-dihydro-1,3-oxazol-2-yl]methyl]propyl]-4,5-dihydro-1,3-oxazole is sourced from PubChem (CID 15896843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).