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

C20H17F6NO3 — CID 89362800

IUPAC[(3R,5R)-3,5-bis[4-(trifluoromethyl)phenyl]-1,3,5,7-tetrahydro-[1,3]oxazolo[3,4-c][1,3]oxazol-7a-yl]methanol
SMILESOCC12CO[C@H](c3ccc(C(F)(F)F)cc3)N1[C@@H](c1ccc(C(F)(F)F)cc1)OC2
InChIInChI=1S/C20H17F6NO3/c21-19(22,23)14-5-1-12(2-6-14)16-27-17(30-11-18(27,9-28)10-29-16)13-3-7-15(8-4-13)20(24,25)26/h1-8,16-17,28H,9-11H2/t16-,17-/m1/s1
InChIKeyWUMDWRVUQCOHGV-IAGOWNOFSA-N
MW433.35 g/mol
LogP4.52
Rot. Bonds3

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

[(3R,5R)-3,5-bis[4-(trifluoromethyl)phenyl]-1,3,5,7-tetrahydro-[1,3]oxazolo[3,4-c][1,3]oxazol-7a-yl]methanol (PubChem CID 89362800) has the molecular formula C20H17F6NO3 and a molecular weight of 433.35 g/mol. Its IUPAC name is [(3R,5R)-3,5-bis[4-(trifluoromethyl)phenyl]-1,3,5,7-tetrahydro-[1,3]oxazolo[3,4-c][1,3]oxazol-7a-yl]methanol.

Molecular Properties

Compound Name[(3R,5R)-3,5-bis[4-(trifluoromethyl)phenyl]-1,3,5,7-tetrahydro-[1,3]oxazolo[3,4-c][1,3]oxazol-7a-yl]methanol
PubChem CID89362800
Molecular FormulaC20H17F6NO3
Molecular Weight433.35 g/mol
Exact Mass433.11
IUPAC Name[(3R,5R)-3,5-bis[4-(trifluoromethyl)phenyl]-1,3,5,7-tetrahydro-[1,3]oxazolo[3,4-c][1,3]oxazol-7a-yl]methanol
SMILESOCC12CO[C@H](c3ccc(C(F)(F)F)cc3)N1[C@@H](c1ccc(C(F)(F)F)cc1)OC2
InChIInChI=1S/C20H17F6NO3/c21-19(22,23)14-5-1-12(2-6-14)16-27-17(30-11-18(27,9-28)10-29-16)13-3-7-15(8-4-13)20(24,25)26/h1-8,16-17,28H,9-11H2/t16-,17-/m1/s1
InChIKeyWUMDWRVUQCOHGV-IAGOWNOFSA-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 [(3R,5R)-3,5-bis[4-(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

[(3S,5S,7aR)-5-(4-fluorophenyl)-3-[4-(trifluoromethyl)phenyl]-1,3,5,7-tetrahydro-[1,3]oxazolo[3,4-c][1,3]oxazol-7a-yl]methanol
CID 70902479
[(3R,5S)-3,5-bis[4-(trifluoromethyl)phenyl]-1,3,5,7-tetrahydro-[1,3]oxazolo[3,4-c][1,3]oxazol-7a-yl]methanethiol
CID 53386966
S-[[(3R,5S)-3,5-bis[4-(trifluoromethyl)phenyl]-1,3,5,7-tetrahydro-[1,3]oxazolo[3,4-c][1,3]oxazol-7a-yl]methyl] ethanethioate
CID 53387286
[3,5-bis(3-fluorophenyl)-1,3,5,7-tetrahydro-[1,3]oxazolo[3,4-c][1,3]oxazol-7a-yl]methanol
CID 68626259
[(3R,5S)-3,5-bis(3-methylphenyl)-1,3,5,7-tetrahydro-[1,3]oxazolo[3,4-c][1,3]oxazol-7a-yl]methanol
CID 16722290
[(2R)-4-(hydroxymethyl)-2-[4-(trifluoromethyl)phenyl]-1,3-oxazolidin-4-yl]methanol
CID 90769782
[(1R,2S)-2-[4-(trifluoromethyl)phenyl]cyclopropyl]methanol
CID 95004062
[(2S,5R)-5-[4-(trifluoromethyl)phenyl]oxan-2-yl]methanol
CID 125455976
[(2R,3S)-3-[4-(trifluoromethyl)phenyl]oxiran-2-yl]methanol
CID 162540634
[5-[4-(trifluoromethyl)phenyl]morpholin-2-yl]methanol
CID 171373474
4-methyl-5-oxo-2-[4-(trifluoromethyl)phenyl]morpholine-3-carboxylic acid
CID 115062318
[3-(hydroxymethyl)oxetan-3-yl]-[4-(trifluoromethyl)phenyl]methanone
CID 116996913

Frequently Asked Questions

What is the IUPAC name of [(3R,5R)-3,5-bis[4-(trifluoromethyl)phenyl]-1,3,5,7-tetrahydro-[1,3]oxazolo[3,4-c][1,3]oxazol-7a-yl]methanol?
The IUPAC name of [(3R,5R)-3,5-bis[4-(trifluoromethyl)phenyl]-1,3,5,7-tetrahydro-[1,3]oxazolo[3,4-c][1,3]oxazol-7a-yl]methanol (CID 89362800) is [(3R,5R)-3,5-bis[4-(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 [(3R,5R)-3,5-bis[4-(trifluoromethyl)phenyl]-1,3,5,7-tetrahydro-[1,3]oxazolo[3,4-c][1,3]oxazol-7a-yl]methanol?
The canonical SMILES for [(3R,5R)-3,5-bis[4-(trifluoromethyl)phenyl]-1,3,5,7-tetrahydro-[1,3]oxazolo[3,4-c][1,3]oxazol-7a-yl]methanol is OCC12CO[C@H](c3ccc(C(F)(F)F)cc3)N1[C@@H](c1ccc(C(F)(F)F)cc1)OC2.
What is the InChIKey of [(3R,5R)-3,5-bis[4-(trifluoromethyl)phenyl]-1,3,5,7-tetrahydro-[1,3]oxazolo[3,4-c][1,3]oxazol-7a-yl]methanol?
The InChIKey is WUMDWRVUQCOHGV-IAGOWNOFSA-N. The full InChI is InChI=1S/C20H17F6NO3/c21-19(22,23)14-5-1-12(2-6-14)16-27-17(30-11-18(27,9-28)10-29-16)13-3-7-15(8-4-13)20(24,25)26/h1-8,16-17,28H,9-11H2/t16-,17-/m1/s1.
What are the key properties of [(3R,5R)-3,5-bis[4-(trifluoromethyl)phenyl]-1,3,5,7-tetrahydro-[1,3]oxazolo[3,4-c][1,3]oxazol-7a-yl]methanol?
[(3R,5R)-3,5-bis[4-(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 [(3R,5R)-3,5-bis[4-(trifluoromethyl)phenyl]-1,3,5,7-tetrahydro-[1,3]oxazolo[3,4-c][1,3]oxazol-7a-yl]methanol is sourced from PubChem (CID 89362800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).