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

C19H19F2NO3 — CID 16722248

IUPAC2-[(3R,5S)-3,5-bis(2-fluorophenyl)-1,3,5,7-tetrahydro-[1,3]oxazolo[3,4-c][1,3]oxazol-7a-yl]ethanol
SMILESOCCC12CO[C@H](c3ccccc3F)N1[C@H](c1ccccc1F)OC2
InChIInChI=1S/C19H19F2NO3/c20-15-7-3-1-5-13(15)17-22-18(14-6-2-4-8-16(14)21)25-12-19(22,9-10-23)11-24-17/h1-8,17-18,23H,9-12H2/t17-,18+,19?
InChIKeyVJEGTYNNHRVFTC-DFNIBXOVSA-N
MW347.36 g/mol
LogP3.15
Rot. Bonds4

About 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

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 (PubChem CID 16722248) has the molecular formula C19H19F2NO3 and a molecular weight of 347.36 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name2-[(3R,5S)-3,5-bis(2-fluorophenyl)-1,3,5,7-tetrahydro-[1,3]oxazolo[3,4-c][1,3]oxazol-7a-yl]ethanol
PubChem CID16722248
Molecular FormulaC19H19F2NO3
Molecular Weight347.36 g/mol
Exact Mass347.13
IUPAC Name2-[(3R,5S)-3,5-bis(2-fluorophenyl)-1,3,5,7-tetrahydro-[1,3]oxazolo[3,4-c][1,3]oxazol-7a-yl]ethanol
SMILESOCCC12CO[C@H](c3ccccc3F)N1[C@H](c1ccccc1F)OC2
InChIInChI=1S/C19H19F2NO3/c20-15-7-3-1-5-13(15)17-22-18(14-6-2-4-8-16(14)21)25-12-19(22,9-10-23)11-24-17/h1-8,17-18,23H,9-12H2/t17-,18+,19?
InChIKeyVJEGTYNNHRVFTC-DFNIBXOVSA-N
XLogP3.15
TPSA41.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.36
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is OCCC12CO[C@H](c3ccccc3F)N1[C@H](c1ccccc1F)OC2.
What is the InChIKey of 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?
The InChIKey is VJEGTYNNHRVFTC-DFNIBXOVSA-N. The full InChI is InChI=1S/C19H19F2NO3/c20-15-7-3-1-5-13(15)17-22-18(14-6-2-4-8-16(14)21)25-12-19(22,9-10-23)11-24-17/h1-8,17-18,23H,9-12H2/t17-,18+,19?.
What are the key properties of 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?
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 has a molecular weight of 347.36 g/mol, XLogP of 3.15, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 16722248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).