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

C18H17F2NO3 — CID 16722231

IUPAC[(3R,5S)-3,5-bis(2-fluorophenyl)-1,3,5,7-tetrahydro-[1,3]oxazolo[3,4-c][1,3]oxazol-7a-yl]methanol
SMILESOCC12CO[C@H](c3ccccc3F)N1[C@H](c1ccccc1F)OC2
InChIInChI=1S/C18H17F2NO3/c19-14-7-3-1-5-12(14)16-21-17(13-6-2-4-8-15(13)20)24-11-18(21,9-22)10-23-16/h1-8,16-17,22H,9-11H2/t16-,17+,18?
InChIKeyIMHZPFNNSOIPNU-JWTNVVGKSA-N
MW333.33 g/mol
LogP2.76
Rot. Bonds3

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

[(3R,5S)-3,5-bis(2-fluorophenyl)-1,3,5,7-tetrahydro-[1,3]oxazolo[3,4-c][1,3]oxazol-7a-yl]methanol (PubChem CID 16722231) has the molecular formula C18H17F2NO3 and a molecular weight of 333.33 g/mol. Its IUPAC name is [(3R,5S)-3,5-bis(2-fluorophenyl)-1,3,5,7-tetrahydro-[1,3]oxazolo[3,4-c][1,3]oxazol-7a-yl]methanol.

Molecular Properties

Compound Name[(3R,5S)-3,5-bis(2-fluorophenyl)-1,3,5,7-tetrahydro-[1,3]oxazolo[3,4-c][1,3]oxazol-7a-yl]methanol
PubChem CID16722231
Molecular FormulaC18H17F2NO3
Molecular Weight333.33 g/mol
Exact Mass333.12
IUPAC Name[(3R,5S)-3,5-bis(2-fluorophenyl)-1,3,5,7-tetrahydro-[1,3]oxazolo[3,4-c][1,3]oxazol-7a-yl]methanol
SMILESOCC12CO[C@H](c3ccccc3F)N1[C@H](c1ccccc1F)OC2
InChIInChI=1S/C18H17F2NO3/c19-14-7-3-1-5-12(14)16-21-17(13-6-2-4-8-15(13)20)24-11-18(21,9-22)10-23-16/h1-8,16-17,22H,9-11H2/t16-,17+,18?
InChIKeyIMHZPFNNSOIPNU-JWTNVVGKSA-N
XLogP2.76
TPSA41.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.33
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [(3R,5S)-3,5-bis(2-fluorophenyl)-1,3,5,7-tetrahydro-[1,3]oxazolo[3,4-c][1,3]oxazol-7a-yl]methanol?
The IUPAC name of [(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) is [(3R,5S)-3,5-bis(2-fluorophenyl)-1,3,5,7-tetrahydro-[1,3]oxazolo[3,4-c][1,3]oxazol-7a-yl]methanol.
What is the SMILES notation for [(3R,5S)-3,5-bis(2-fluorophenyl)-1,3,5,7-tetrahydro-[1,3]oxazolo[3,4-c][1,3]oxazol-7a-yl]methanol?
The canonical SMILES for [(3R,5S)-3,5-bis(2-fluorophenyl)-1,3,5,7-tetrahydro-[1,3]oxazolo[3,4-c][1,3]oxazol-7a-yl]methanol is OCC12CO[C@H](c3ccccc3F)N1[C@H](c1ccccc1F)OC2.
What is the InChIKey of [(3R,5S)-3,5-bis(2-fluorophenyl)-1,3,5,7-tetrahydro-[1,3]oxazolo[3,4-c][1,3]oxazol-7a-yl]methanol?
The InChIKey is IMHZPFNNSOIPNU-JWTNVVGKSA-N. The full InChI is InChI=1S/C18H17F2NO3/c19-14-7-3-1-5-12(14)16-21-17(13-6-2-4-8-15(13)20)24-11-18(21,9-22)10-23-16/h1-8,16-17,22H,9-11H2/t16-,17+,18?.
What are the key properties of [(3R,5S)-3,5-bis(2-fluorophenyl)-1,3,5,7-tetrahydro-[1,3]oxazolo[3,4-c][1,3]oxazol-7a-yl]methanol?
[(3R,5S)-3,5-bis(2-fluorophenyl)-1,3,5,7-tetrahydro-[1,3]oxazolo[3,4-c][1,3]oxazol-7a-yl]methanol has a molecular weight of 333.33 g/mol, XLogP of 2.76, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R,5S)-3,5-bis(2-fluorophenyl)-1,3,5,7-tetrahydro-[1,3]oxazolo[3,4-c][1,3]oxazol-7a-yl]methanol is sourced from PubChem (CID 16722231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).