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

C18H17F2NO3 — CID 68626259

IUPAC[3,5-bis(3-fluorophenyl)-1,3,5,7-tetrahydro-[1,3]oxazolo[3,4-c][1,3]oxazol-7a-yl]methanol
SMILESOCC12COC(c3cccc(F)c3)N1C(c1cccc(F)c1)OC2
InChIInChI=1S/C18H17F2NO3/c19-14-5-1-3-12(7-14)16-21-17(13-4-2-6-15(20)8-13)24-11-18(21,9-22)10-23-16/h1-8,16-17,22H,9-11H2
InChIKeyCOBPVZLEQJVMJL-UHFFFAOYSA-N
MW333.33 g/mol
LogP2.76
Rot. Bonds3

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

[3,5-bis(3-fluorophenyl)-1,3,5,7-tetrahydro-[1,3]oxazolo[3,4-c][1,3]oxazol-7a-yl]methanol (PubChem CID 68626259) has the molecular formula C18H17F2NO3 and a molecular weight of 333.33 g/mol. Its IUPAC name is [3,5-bis(3-fluorophenyl)-1,3,5,7-tetrahydro-[1,3]oxazolo[3,4-c][1,3]oxazol-7a-yl]methanol.

Molecular Properties

Compound Name[3,5-bis(3-fluorophenyl)-1,3,5,7-tetrahydro-[1,3]oxazolo[3,4-c][1,3]oxazol-7a-yl]methanol
PubChem CID68626259
Molecular FormulaC18H17F2NO3
Molecular Weight333.33 g/mol
Exact Mass333.12
IUPAC Name[3,5-bis(3-fluorophenyl)-1,3,5,7-tetrahydro-[1,3]oxazolo[3,4-c][1,3]oxazol-7a-yl]methanol
SMILESOCC12COC(c3cccc(F)c3)N1C(c1cccc(F)c1)OC2
InChIInChI=1S/C18H17F2NO3/c19-14-5-1-3-12(7-14)16-21-17(13-4-2-6-15(20)8-13)24-11-18(21,9-22)10-23-16/h1-8,16-17,22H,9-11H2
InChIKeyCOBPVZLEQJVMJL-UHFFFAOYSA-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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Related Compounds

2-[(5S)-3,5-bis(3-fluorophenyl)-1,3,5,7-tetrahydro-[1,3]oxazolo[3,4-c][1,3]oxazol-7a-yl]ethanol
CID 69088494
[(3R,5R)-3,5-diphenyl-1,3,5,7-tetrahydro-[1,3]oxazolo[3,4-c][1,3]oxazol-7a-yl]methanol
CID 833098
[2-(3-fluorophenyl)cyclopropyl]methanol
CID 53275735
5-(3-fluorophenyl)-3-(hydroxymethyl)pyrrolidin-3-ol
CID 143961477
[(1S,3S)-2,2-difluoro-3-(3-fluorophenyl)cyclopropyl]methanol
CID 165456668
[2-(3-fluorophenyl)cyclobutyl]methanol
CID 105438736
(3-fluorophenyl)-phenyliodanium
CID 14290166
2-(3-fluorophenyl)-6-(hydroxymethyl)oxane-3,4-diol
CID 123741782
1-chloro-2-(3-fluorophenyl)cyclopropane-1-carboxylic acid
CID 152624369
1-amino-2-(3-fluorophenyl)cyclopropane-1-carboxylic acid
CID 53276276
(2S,5S)-2-ethyl-5-(3-fluorophenyl)-2-(hydroxymethyl)pyrrolidine-1-carboxylic acid
CID 138487467
(4R)-4-(3-fluorophenyl)-1-(hydroxymethyl)pyrrolidin-2-one
CID 129391143

Frequently Asked Questions

What is the IUPAC name of [3,5-bis(3-fluorophenyl)-1,3,5,7-tetrahydro-[1,3]oxazolo[3,4-c][1,3]oxazol-7a-yl]methanol?
The IUPAC name of [3,5-bis(3-fluorophenyl)-1,3,5,7-tetrahydro-[1,3]oxazolo[3,4-c][1,3]oxazol-7a-yl]methanol (CID 68626259) is [3,5-bis(3-fluorophenyl)-1,3,5,7-tetrahydro-[1,3]oxazolo[3,4-c][1,3]oxazol-7a-yl]methanol.
What is the SMILES notation for [3,5-bis(3-fluorophenyl)-1,3,5,7-tetrahydro-[1,3]oxazolo[3,4-c][1,3]oxazol-7a-yl]methanol?
The canonical SMILES for [3,5-bis(3-fluorophenyl)-1,3,5,7-tetrahydro-[1,3]oxazolo[3,4-c][1,3]oxazol-7a-yl]methanol is OCC12COC(c3cccc(F)c3)N1C(c1cccc(F)c1)OC2.
What is the InChIKey of [3,5-bis(3-fluorophenyl)-1,3,5,7-tetrahydro-[1,3]oxazolo[3,4-c][1,3]oxazol-7a-yl]methanol?
The InChIKey is COBPVZLEQJVMJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17F2NO3/c19-14-5-1-3-12(7-14)16-21-17(13-4-2-6-15(20)8-13)24-11-18(21,9-22)10-23-16/h1-8,16-17,22H,9-11H2.
What are the key properties of [3,5-bis(3-fluorophenyl)-1,3,5,7-tetrahydro-[1,3]oxazolo[3,4-c][1,3]oxazol-7a-yl]methanol?
[3,5-bis(3-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 [3,5-bis(3-fluorophenyl)-1,3,5,7-tetrahydro-[1,3]oxazolo[3,4-c][1,3]oxazol-7a-yl]methanol is sourced from PubChem (CID 68626259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).