[(4R,5R)-5-[hydroxy(diphenyl)methyl]-2,2-dimethyl-1,3-oxazolidin-4-yl]-diphenylmethanol

C31H31NO3 — CID 101193546

IUPAC[(4R,5R)-5-[hydroxy(diphenyl)methyl]-2,2-dimethyl-1,3-oxazolidin-4-yl]-diphenylmethanol
SMILESCC1(C)N[C@@H](C(O)(c2ccccc2)c2ccccc2)[C@H](C(O)(c2ccccc2)c2ccccc2)O1
InChIInChI=1S/C31H31NO3/c1-29(2)32-27(30(33,23-15-7-3-8-16-23)24-17-9-4-10-18-24)28(35-29)31(34,25-19-11-5-12-20-25)26-21-13-6-14-22-26/h3-22,27-28,32-34H,1-2H3/t27-,28-/m1/s1
InChIKeyAQZBPXQEUQIAOV-VSGBNLITSA-N
MW465.59 g/mol
LogP4.95
Rot. Bonds6

About [(4R,5R)-5-[hydroxy(diphenyl)methyl]-2,2-dimethyl-1,3-oxazolidin-4-yl]-diphenylmethanol

[(4R,5R)-5-[hydroxy(diphenyl)methyl]-2,2-dimethyl-1,3-oxazolidin-4-yl]-diphenylmethanol (PubChem CID 101193546) has the molecular formula C31H31NO3 and a molecular weight of 465.59 g/mol. Its IUPAC name is [(4R,5R)-5-[hydroxy(diphenyl)methyl]-2,2-dimethyl-1,3-oxazolidin-4-yl]-diphenylmethanol.

Molecular Properties

Compound Name[(4R,5R)-5-[hydroxy(diphenyl)methyl]-2,2-dimethyl-1,3-oxazolidin-4-yl]-diphenylmethanol
PubChem CID101193546
Molecular FormulaC31H31NO3
Molecular Weight465.59 g/mol
Exact Mass465.23
IUPAC Name[(4R,5R)-5-[hydroxy(diphenyl)methyl]-2,2-dimethyl-1,3-oxazolidin-4-yl]-diphenylmethanol
SMILESCC1(C)N[C@@H](C(O)(c2ccccc2)c2ccccc2)[C@H](C(O)(c2ccccc2)c2ccccc2)O1
InChIInChI=1S/C31H31NO3/c1-29(2)32-27(30(33,23-15-7-3-8-16-23)24-17-9-4-10-18-24)28(35-29)31(34,25-19-11-5-12-20-25)26-21-13-6-14-22-26/h3-22,27-28,32-34H,1-2H3/t27-,28-/m1/s1
InChIKeyAQZBPXQEUQIAOV-VSGBNLITSA-N
XLogP4.95
TPSA61.72 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.59
LogP ≤ 54.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [(4R,5R)-5-[hydroxy(diphenyl)methyl]-2,2-dimethyl-1,3-oxazolidin-4-yl]-diphenylmethanol?
The IUPAC name of [(4R,5R)-5-[hydroxy(diphenyl)methyl]-2,2-dimethyl-1,3-oxazolidin-4-yl]-diphenylmethanol (CID 101193546) is [(4R,5R)-5-[hydroxy(diphenyl)methyl]-2,2-dimethyl-1,3-oxazolidin-4-yl]-diphenylmethanol.
What is the SMILES notation for [(4R,5R)-5-[hydroxy(diphenyl)methyl]-2,2-dimethyl-1,3-oxazolidin-4-yl]-diphenylmethanol?
The canonical SMILES for [(4R,5R)-5-[hydroxy(diphenyl)methyl]-2,2-dimethyl-1,3-oxazolidin-4-yl]-diphenylmethanol is CC1(C)N[C@@H](C(O)(c2ccccc2)c2ccccc2)[C@H](C(O)(c2ccccc2)c2ccccc2)O1.
What is the InChIKey of [(4R,5R)-5-[hydroxy(diphenyl)methyl]-2,2-dimethyl-1,3-oxazolidin-4-yl]-diphenylmethanol?
The InChIKey is AQZBPXQEUQIAOV-VSGBNLITSA-N. The full InChI is InChI=1S/C31H31NO3/c1-29(2)32-27(30(33,23-15-7-3-8-16-23)24-17-9-4-10-18-24)28(35-29)31(34,25-19-11-5-12-20-25)26-21-13-6-14-22-26/h3-22,27-28,32-34H,1-2H3/t27-,28-/m1/s1.
What are the key properties of [(4R,5R)-5-[hydroxy(diphenyl)methyl]-2,2-dimethyl-1,3-oxazolidin-4-yl]-diphenylmethanol?
[(4R,5R)-5-[hydroxy(diphenyl)methyl]-2,2-dimethyl-1,3-oxazolidin-4-yl]-diphenylmethanol has a molecular weight of 465.59 g/mol, XLogP of 4.95, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(4R,5R)-5-[hydroxy(diphenyl)methyl]-2,2-dimethyl-1,3-oxazolidin-4-yl]-diphenylmethanol is sourced from PubChem (CID 101193546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).