[(2R,3R,5R,6R)-5,6-dimethoxy-5,6-dimethyl-3-[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]-1,4-dioxan-2-yl]-diphenylmethanol

C27H35NO6 — CID 101363491

IUPAC[(2R,3R,5R,6R)-5,6-dimethoxy-5,6-dimethyl-3-[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]-1,4-dioxan-2-yl]-diphenylmethanol
SMILESCO[C@]1(C)O[C@@H](C(O)(c2ccccc2)c2ccccc2)[C@H](C2=N[C@@H](C(C)C)CO2)O[C@@]1(C)OC
InChIInChI=1S/C27H35NO6/c1-18(2)21-17-32-24(28-21)22-23(34-26(4,31-6)25(3,30-5)33-22)27(29,19-13-9-7-10-14-19)20-15-11-8-12-16-20/h7-16,18,21-23,29H,17H2,1-6H3/t21-,22-,23-,25-,26-/m1/s1
InChIKeyQNEWUBBKOCRLLI-DWTKAHDNSA-N
MW469.58 g/mol
LogP3.88
Rot. Bonds7

About [(2R,3R,5R,6R)-5,6-dimethoxy-5,6-dimethyl-3-[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]-1,4-dioxan-2-yl]-diphenylmethanol

[(2R,3R,5R,6R)-5,6-dimethoxy-5,6-dimethyl-3-[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]-1,4-dioxan-2-yl]-diphenylmethanol (PubChem CID 101363491) has the molecular formula C27H35NO6 and a molecular weight of 469.58 g/mol. Its IUPAC name is [(2R,3R,5R,6R)-5,6-dimethoxy-5,6-dimethyl-3-[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]-1,4-dioxan-2-yl]-diphenylmethanol.

Molecular Properties

Compound Name[(2R,3R,5R,6R)-5,6-dimethoxy-5,6-dimethyl-3-[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]-1,4-dioxan-2-yl]-diphenylmethanol
PubChem CID101363491
Molecular FormulaC27H35NO6
Molecular Weight469.58 g/mol
Exact Mass469.25
IUPAC Name[(2R,3R,5R,6R)-5,6-dimethoxy-5,6-dimethyl-3-[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]-1,4-dioxan-2-yl]-diphenylmethanol
SMILESCO[C@]1(C)O[C@@H](C(O)(c2ccccc2)c2ccccc2)[C@H](C2=N[C@@H](C(C)C)CO2)O[C@@]1(C)OC
InChIInChI=1S/C27H35NO6/c1-18(2)21-17-32-24(28-21)22-23(34-26(4,31-6)25(3,30-5)33-22)27(29,19-13-9-7-10-14-19)20-15-11-8-12-16-20/h7-16,18,21-23,29H,17H2,1-6H3/t21-,22-,23-,25-,26-/m1/s1
InChIKeyQNEWUBBKOCRLLI-DWTKAHDNSA-N
XLogP3.88
TPSA78.74 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.58
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze [(2R,3R,5R,6R)-5,6-dimethoxy-5,6-dimethyl-3-[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]-1,4-dioxan-2-yl]-diphenylmethanol with MolForge

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Launch Full Analysis

Related Compounds

(4S)-2-[(2S)-3,3-diphenyloxiran-2-yl]-4-propan-2-yl-4,5-dihydro-1,3-oxazole
CID 101117326
(4S)-4-propan-2-yl-2-[(15S,16S)-16-[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]-15-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenyl]-4,5-dihydro-1,3-oxazole
CID 102113883
carbanide;[(4R,5R)-5-[hydroxy(diphenyl)methyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-diphenylmethanol;propan-2-ol;titanium
CID 14400222
(2R)-2-chloro-1,1-diphenyl-2-(4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl)ethanolate
CID 101040563
2-[1,3-diphenyl-2-(4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl)propan-2-yl]-4-propan-2-yl-4,5-dihydro-1,3-oxazole
CID 72772752
carbanide;[(4R,5R)-5-[hydroxy(diphenyl)methyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-diphenylmethanol;titanium(2+)
CID 138966607
[(4S,5R)-2,2-diethyl-5-[hydroxy(diphenyl)methyl]-1,3-dioxolan-4-yl]-diphenylmethanol
CID 27794609
(4S)-2-[phenyl-[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]methyl]-4-propan-2-yl-4,5-dihydro-1,3-oxazole
CID 102082599
1-phenyl-2,2-bis[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]propan-1-one
CID 101390519
4-propan-2-yl-2-[2-[2-(4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl)phenyl]phenyl]-4,5-dihydro-1,3-oxazole
CID 123940471
dichlorotitanium;[(4S,5S)-5-[hydroxy(diphenyl)methyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-diphenylmethanol
CID 10603379
[(4S,5S)-5-[hydroxy-bis(4-methoxyphenyl)methyl]-2-methyl-2-phenyl-1,3-dioxolan-4-yl]-bis(4-methoxyphenyl)methanol
CID 22847896

Frequently Asked Questions

What is the IUPAC name of [(2R,3R,5R,6R)-5,6-dimethoxy-5,6-dimethyl-3-[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]-1,4-dioxan-2-yl]-diphenylmethanol?
The IUPAC name of [(2R,3R,5R,6R)-5,6-dimethoxy-5,6-dimethyl-3-[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]-1,4-dioxan-2-yl]-diphenylmethanol (CID 101363491) is [(2R,3R,5R,6R)-5,6-dimethoxy-5,6-dimethyl-3-[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]-1,4-dioxan-2-yl]-diphenylmethanol.
What is the SMILES notation for [(2R,3R,5R,6R)-5,6-dimethoxy-5,6-dimethyl-3-[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]-1,4-dioxan-2-yl]-diphenylmethanol?
The canonical SMILES for [(2R,3R,5R,6R)-5,6-dimethoxy-5,6-dimethyl-3-[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]-1,4-dioxan-2-yl]-diphenylmethanol is CO[C@]1(C)O[C@@H](C(O)(c2ccccc2)c2ccccc2)[C@H](C2=N[C@@H](C(C)C)CO2)O[C@@]1(C)OC.
What is the InChIKey of [(2R,3R,5R,6R)-5,6-dimethoxy-5,6-dimethyl-3-[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]-1,4-dioxan-2-yl]-diphenylmethanol?
The InChIKey is QNEWUBBKOCRLLI-DWTKAHDNSA-N. The full InChI is InChI=1S/C27H35NO6/c1-18(2)21-17-32-24(28-21)22-23(34-26(4,31-6)25(3,30-5)33-22)27(29,19-13-9-7-10-14-19)20-15-11-8-12-16-20/h7-16,18,21-23,29H,17H2,1-6H3/t21-,22-,23-,25-,26-/m1/s1.
What are the key properties of [(2R,3R,5R,6R)-5,6-dimethoxy-5,6-dimethyl-3-[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]-1,4-dioxan-2-yl]-diphenylmethanol?
[(2R,3R,5R,6R)-5,6-dimethoxy-5,6-dimethyl-3-[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]-1,4-dioxan-2-yl]-diphenylmethanol has a molecular weight of 469.58 g/mol, XLogP of 3.88, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,3R,5R,6R)-5,6-dimethoxy-5,6-dimethyl-3-[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]-1,4-dioxan-2-yl]-diphenylmethanol is sourced from PubChem (CID 101363491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).