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

C18H19NO3 — CID 833098

IUPAC[(3R,5R)-3,5-diphenyl-1,3,5,7-tetrahydro-[1,3]oxazolo[3,4-c][1,3]oxazol-7a-yl]methanol
SMILESOCC12CO[C@H](c3ccccc3)N1[C@@H](c1ccccc1)OC2
InChIInChI=1S/C18H19NO3/c20-11-18-12-21-16(14-7-3-1-4-8-14)19(18)17(22-13-18)15-9-5-2-6-10-15/h1-10,16-17,20H,11-13H2/t16-,17-/m1/s1
InChIKeyRXJSYYBGXMOGCK-IAGOWNOFSA-N
MW297.35 g/mol
LogP2.48
Rot. Bonds3

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

[(3R,5R)-3,5-diphenyl-1,3,5,7-tetrahydro-[1,3]oxazolo[3,4-c][1,3]oxazol-7a-yl]methanol (PubChem CID 833098) has the molecular formula C18H19NO3 and a molecular weight of 297.35 g/mol. Its IUPAC name is [(3R,5R)-3,5-diphenyl-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-diphenyl-1,3,5,7-tetrahydro-[1,3]oxazolo[3,4-c][1,3]oxazol-7a-yl]methanol
PubChem CID833098
Molecular FormulaC18H19NO3
Molecular Weight297.35 g/mol
Exact Mass297.14
IUPAC Name[(3R,5R)-3,5-diphenyl-1,3,5,7-tetrahydro-[1,3]oxazolo[3,4-c][1,3]oxazol-7a-yl]methanol
SMILESOCC12CO[C@H](c3ccccc3)N1[C@@H](c1ccccc1)OC2
InChIInChI=1S/C18H19NO3/c20-11-18-12-21-16(14-7-3-1-4-8-14)19(18)17(22-13-18)15-9-5-2-6-10-15/h1-10,16-17,20H,11-13H2/t16-,17-/m1/s1
InChIKeyRXJSYYBGXMOGCK-IAGOWNOFSA-N
XLogP2.48
TPSA41.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.35
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[(3R,5S)-3,5-diphenyl-1,3,5,7-tetrahydro-[1,3]oxazolo[3,4-c][1,3]oxazol-7a-yl]methanol
CID 833097
[(1S,8S)-9,13-dioxa-14-azatetracyclo[6.5.1.02,7.011,14]tetradeca-2,4,6-trien-11-yl]methanol
CID 711456
[3,5-bis(3-bromophenyl)-1,3,5,7-tetrahydro-[1,3]oxazolo[3,4-c][1,3]oxazol-7a-yl]methanol
CID 53387446
[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
3,5-diphenyl-7a-(prop-2-enoxymethyl)-1,3,5,7-tetrahydro-[1,3]oxazolo[3,4-c][1,3]oxazole
CID 168834239
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,7aR)-3-phenyl-7a-prop-2-enyl-1,3,6,7-tetrahydropyrrolo[1,2-c][1,3]oxazol-5-one
CID 15427486
[(2S)-1-(hydroxymethyl)-2-phenylcyclopropyl]methanol
CID 101480035
[(2S)-2-methyl-3-phenyloxiran-2-yl]methanol
CID 146013976
[(3R,7aS)-3-(4-nitrophenyl)spiro[3,7-dihydro-1H-[1,3]oxazolo[3,4-c][1,3]oxazole-5,1'-cyclopentane]-7a-yl]methanol
CID 101051002
2-phenyloxirane
CID 7276

Frequently Asked Questions

What is the IUPAC name of [(3R,5R)-3,5-diphenyl-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-diphenyl-1,3,5,7-tetrahydro-[1,3]oxazolo[3,4-c][1,3]oxazol-7a-yl]methanol (CID 833098) is [(3R,5R)-3,5-diphenyl-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-diphenyl-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-diphenyl-1,3,5,7-tetrahydro-[1,3]oxazolo[3,4-c][1,3]oxazol-7a-yl]methanol is OCC12CO[C@H](c3ccccc3)N1[C@@H](c1ccccc1)OC2.
What is the InChIKey of [(3R,5R)-3,5-diphenyl-1,3,5,7-tetrahydro-[1,3]oxazolo[3,4-c][1,3]oxazol-7a-yl]methanol?
The InChIKey is RXJSYYBGXMOGCK-IAGOWNOFSA-N. The full InChI is InChI=1S/C18H19NO3/c20-11-18-12-21-16(14-7-3-1-4-8-14)19(18)17(22-13-18)15-9-5-2-6-10-15/h1-10,16-17,20H,11-13H2/t16-,17-/m1/s1.
What are the key properties of [(3R,5R)-3,5-diphenyl-1,3,5,7-tetrahydro-[1,3]oxazolo[3,4-c][1,3]oxazol-7a-yl]methanol?
[(3R,5R)-3,5-diphenyl-1,3,5,7-tetrahydro-[1,3]oxazolo[3,4-c][1,3]oxazol-7a-yl]methanol has a molecular weight of 297.35 g/mol, XLogP of 2.48, 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-diphenyl-1,3,5,7-tetrahydro-[1,3]oxazolo[3,4-c][1,3]oxazol-7a-yl]methanol is sourced from PubChem (CID 833098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).