[(5R)-3,5-bis[2-(trifluoromethyl)phenyl]-1,3,5,7-tetrahydro-[1,3]oxazolo[3,4-c][1,3]oxazol-7a-yl]methanol

C20H17F6NO3 — CID 16722232

IUPAC[(5R)-3,5-bis[2-(trifluoromethyl)phenyl]-1,3,5,7-tetrahydro-[1,3]oxazolo[3,4-c][1,3]oxazol-7a-yl]methanol
SMILESOCC12COC(c3ccccc3C(F)(F)F)N1[C@@H](c1ccccc1C(F)(F)F)OC2
InChIInChI=1S/C20H17F6NO3/c21-19(22,23)14-7-3-1-5-12(14)16-27-17(30-11-18(27,9-28)10-29-16)13-6-2-4-8-15(13)20(24,25)26/h1-8,16-17,28H,9-11H2/t16-,17?,18?/m1/s1
InChIKeyCOYCVVSPXYQFOW-WWDZGPRUSA-N
MW433.35 g/mol
LogP4.52
Rot. Bonds3

About [(5R)-3,5-bis[2-(trifluoromethyl)phenyl]-1,3,5,7-tetrahydro-[1,3]oxazolo[3,4-c][1,3]oxazol-7a-yl]methanol

[(5R)-3,5-bis[2-(trifluoromethyl)phenyl]-1,3,5,7-tetrahydro-[1,3]oxazolo[3,4-c][1,3]oxazol-7a-yl]methanol (PubChem CID 16722232) has the molecular formula C20H17F6NO3 and a molecular weight of 433.35 g/mol. Its IUPAC name is [(5R)-3,5-bis[2-(trifluoromethyl)phenyl]-1,3,5,7-tetrahydro-[1,3]oxazolo[3,4-c][1,3]oxazol-7a-yl]methanol.

Molecular Properties

Compound Name[(5R)-3,5-bis[2-(trifluoromethyl)phenyl]-1,3,5,7-tetrahydro-[1,3]oxazolo[3,4-c][1,3]oxazol-7a-yl]methanol
PubChem CID16722232
Molecular FormulaC20H17F6NO3
Molecular Weight433.35 g/mol
Exact Mass433.11
IUPAC Name[(5R)-3,5-bis[2-(trifluoromethyl)phenyl]-1,3,5,7-tetrahydro-[1,3]oxazolo[3,4-c][1,3]oxazol-7a-yl]methanol
SMILESOCC12COC(c3ccccc3C(F)(F)F)N1[C@@H](c1ccccc1C(F)(F)F)OC2
InChIInChI=1S/C20H17F6NO3/c21-19(22,23)14-7-3-1-5-12(14)16-27-17(30-11-18(27,9-28)10-29-16)13-6-2-4-8-15(13)20(24,25)26/h1-8,16-17,28H,9-11H2/t16-,17?,18?/m1/s1
InChIKeyCOYCVVSPXYQFOW-WWDZGPRUSA-N
XLogP4.52
TPSA41.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.35
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [(5R)-3,5-bis[2-(trifluoromethyl)phenyl]-1,3,5,7-tetrahydro-[1,3]oxazolo[3,4-c][1,3]oxazol-7a-yl]methanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1H,3H,5H-Oxazolo(3,4-c)oxazole-7a(7H)-methanol, 3,5-diphenyl-
CID 96863
(3,5-Di-p-tolyl-oxazolo[3,4-c]oxazol-7a-yl)-methanol
CID 626288
[(3R,5S)-3,5-bis(4-fluorophenyl)-1,3,5,7-tetrahydro-[1,3]oxazolo[3,4-c][1,3]oxazol-7a-yl]methanol
CID 16722711
[(3R,5R)-3,5-bis(4-fluorophenyl)-1,3,5,7-tetrahydro-[1,3]oxazolo[3,4-c][1,3]oxazol-7a-yl]methanol
CID 44597741
meso-GS 164
CID 9884060
2-[(3R,5S)-3,5-bis[3-(difluoromethyl)phenyl]-1,3,5,7-tetrahydro-[1,3]oxazolo[3,4-c][1,3]oxazol-7a-yl]ethanol
CID 16722226
2-[(3R,5S)-3,5-bis[3-(fluoromethyl)phenyl]-1,3,5,7-tetrahydro-[1,3]oxazolo[3,4-c][1,3]oxazol-7a-yl]ethanol
CID 16722227
[(3R,5S)-3,5-bis(2-fluorophenyl)-1,3,5,7-tetrahydro-[1,3]oxazolo[3,4-c][1,3]oxazol-7a-yl]methanol
CID 16722231
2-[(3R,5S)-3,5-bis[2-(fluoromethyl)phenyl]-1,3,5,7-tetrahydro-[1,3]oxazolo[3,4-c][1,3]oxazol-7a-yl]ethanol
CID 16722233
[(3S,5R)-3,5-bis[2-(difluoromethyl)phenyl]-1,3,5,7-tetrahydro-[1,3]oxazolo[3,4-c][1,3]oxazol-7a-yl]methanol
CID 16722243
[(3R,5S)-3,5-bis[2-(fluoromethyl)phenyl]-1,3,5,7-tetrahydro-[1,3]oxazolo[3,4-c][1,3]oxazol-7a-yl]methanol
CID 16722244
2-[(3R,5S)-3,5-bis(2-fluorophenyl)-1,3,5,7-tetrahydro-[1,3]oxazolo[3,4-c][1,3]oxazol-7a-yl]ethanol
CID 16722248

Frequently Asked Questions

What is the IUPAC name of [(5R)-3,5-bis[2-(trifluoromethyl)phenyl]-1,3,5,7-tetrahydro-[1,3]oxazolo[3,4-c][1,3]oxazol-7a-yl]methanol?
The IUPAC name of [(5R)-3,5-bis[2-(trifluoromethyl)phenyl]-1,3,5,7-tetrahydro-[1,3]oxazolo[3,4-c][1,3]oxazol-7a-yl]methanol (CID 16722232) is [(5R)-3,5-bis[2-(trifluoromethyl)phenyl]-1,3,5,7-tetrahydro-[1,3]oxazolo[3,4-c][1,3]oxazol-7a-yl]methanol.
What is the SMILES notation for [(5R)-3,5-bis[2-(trifluoromethyl)phenyl]-1,3,5,7-tetrahydro-[1,3]oxazolo[3,4-c][1,3]oxazol-7a-yl]methanol?
The canonical SMILES for [(5R)-3,5-bis[2-(trifluoromethyl)phenyl]-1,3,5,7-tetrahydro-[1,3]oxazolo[3,4-c][1,3]oxazol-7a-yl]methanol is OCC12COC(c3ccccc3C(F)(F)F)N1[C@@H](c1ccccc1C(F)(F)F)OC2.
What is the InChIKey of [(5R)-3,5-bis[2-(trifluoromethyl)phenyl]-1,3,5,7-tetrahydro-[1,3]oxazolo[3,4-c][1,3]oxazol-7a-yl]methanol?
The InChIKey is COYCVVSPXYQFOW-WWDZGPRUSA-N. The full InChI is InChI=1S/C20H17F6NO3/c21-19(22,23)14-7-3-1-5-12(14)16-27-17(30-11-18(27,9-28)10-29-16)13-6-2-4-8-15(13)20(24,25)26/h1-8,16-17,28H,9-11H2/t16-,17?,18?/m1/s1.
What are the key properties of [(5R)-3,5-bis[2-(trifluoromethyl)phenyl]-1,3,5,7-tetrahydro-[1,3]oxazolo[3,4-c][1,3]oxazol-7a-yl]methanol?
[(5R)-3,5-bis[2-(trifluoromethyl)phenyl]-1,3,5,7-tetrahydro-[1,3]oxazolo[3,4-c][1,3]oxazol-7a-yl]methanol has a molecular weight of 433.35 g/mol, XLogP of 4.52, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(5R)-3,5-bis[2-(trifluoromethyl)phenyl]-1,3,5,7-tetrahydro-[1,3]oxazolo[3,4-c][1,3]oxazol-7a-yl]methanol is sourced from PubChem (CID 16722232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).