tert-butyl (4S)-4-[hydroxy(diphenyl)methyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate

C23H29NO4 — CID 11783928

IUPACtert-butyl (4S)-4-[hydroxy(diphenyl)methyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
SMILESCC(C)(C)OC(=O)N1[C@H](C(O)(c2ccccc2)c2ccccc2)COC1(C)C
InChIInChI=1S/C23H29NO4/c1-21(2,3)28-20(25)24-19(16-27-22(24,4)5)23(26,17-12-8-6-9-13-17)18-14-10-7-11-15-18/h6-15,19,26H,16H2,1-5H3/t19-/m0/s1
InChIKeyRBRBANKWHVAKQU-IBGZPJMESA-N
MW383.49 g/mol
LogP4.29
Rot. Bonds3

About tert-butyl (4S)-4-[hydroxy(diphenyl)methyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate

tert-butyl (4S)-4-[hydroxy(diphenyl)methyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate (PubChem CID 11783928) has the molecular formula C23H29NO4 and a molecular weight of 383.49 g/mol. Its IUPAC name is tert-butyl (4S)-4-[hydroxy(diphenyl)methyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate.

Molecular Properties

Compound Nametert-butyl (4S)-4-[hydroxy(diphenyl)methyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
PubChem CID11783928
Molecular FormulaC23H29NO4
Molecular Weight383.49 g/mol
Exact Mass383.21
IUPAC Nametert-butyl (4S)-4-[hydroxy(diphenyl)methyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
SMILESCC(C)(C)OC(=O)N1[C@H](C(O)(c2ccccc2)c2ccccc2)COC1(C)C
InChIInChI=1S/C23H29NO4/c1-21(2,3)28-20(25)24-19(16-27-22(24,4)5)23(26,17-12-8-6-9-13-17)18-14-10-7-11-15-18/h6-15,19,26H,16H2,1-5H3/t19-/m0/s1
InChIKeyRBRBANKWHVAKQU-IBGZPJMESA-N
XLogP4.29
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.49
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(1-Methylpyrrolidin-2-yl)-diphenylmethanol
CID 204388
tert-butyl (2R,3S,4R)-4-[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]-2-(hydroxymethyl)-3-phenylpyrrolidine-1-carboxylate
CID 44456703
3-Methyl-2-morpholino-1,1-diphenylbutan-1-ol
CID 46885515
[1-(2,2-Dimethylpropanoyl)-2-pyrrolidinyl](diphenyl)methanol
CID 6544420
tert-butyl (2S,3R,4S)-3-[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]-4-(4-fluorophenyl)-2-(hydroxymethyl)pyrrolidine-1-carboxylate
CID 44456650
tert-butyl (2S,3R,4S)-3-[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]-2-(hydroxymethyl)-4-phenylpyrrolidine-1-carboxylate
CID 44456651
tert-butyl (2S,3S,4R)-3-[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]-4-(4-fluorophenyl)-2-(hydroxymethyl)pyrrolidine-1-carboxylate
CID 44456748
tert-butyl (2S,3S,4R)-3-[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]-2-(hydroxymethyl)-4-phenylpyrrolidine-1-carboxylate
CID 44456866
(S)-(+)-2-[Hydroxy(diphenyl)methyl]-1-methylpyrrolidine
CID 853009
(R)-(-)-2-[Hydroxy(diphenyl)methyl]-1-methylpyrrolidine
CID 853010
1,2-Dimethyl-3-phenylpyrrolidin-3-yl diethylcarbamate
CID 58447
1-Pyrrolidinepropanol, alpha,alpha-diphenyl-beta-(ethoxymethyl)-, hydrochloride
CID 214084

Frequently Asked Questions

What is the IUPAC name of tert-butyl (4S)-4-[hydroxy(diphenyl)methyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate?
The IUPAC name of tert-butyl (4S)-4-[hydroxy(diphenyl)methyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate (CID 11783928) is tert-butyl (4S)-4-[hydroxy(diphenyl)methyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate.
What is the SMILES notation for tert-butyl (4S)-4-[hydroxy(diphenyl)methyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate?
The canonical SMILES for tert-butyl (4S)-4-[hydroxy(diphenyl)methyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate is CC(C)(C)OC(=O)N1[C@H](C(O)(c2ccccc2)c2ccccc2)COC1(C)C.
What is the InChIKey of tert-butyl (4S)-4-[hydroxy(diphenyl)methyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate?
The InChIKey is RBRBANKWHVAKQU-IBGZPJMESA-N. The full InChI is InChI=1S/C23H29NO4/c1-21(2,3)28-20(25)24-19(16-27-22(24,4)5)23(26,17-12-8-6-9-13-17)18-14-10-7-11-15-18/h6-15,19,26H,16H2,1-5H3/t19-/m0/s1.
What are the key properties of tert-butyl (4S)-4-[hydroxy(diphenyl)methyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate?
tert-butyl (4S)-4-[hydroxy(diphenyl)methyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate has a molecular weight of 383.49 g/mol, XLogP of 4.29, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (4S)-4-[hydroxy(diphenyl)methyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate is sourced from PubChem (CID 11783928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).