benzyl (4R)-2,2-dimethyl-4-(phenylmethoxymethyl)-1,3-oxazolidine-3-carboxylate

C21H25NO4 — CID 11002753

IUPACbenzyl (4R)-2,2-dimethyl-4-(phenylmethoxymethyl)-1,3-oxazolidine-3-carboxylate
SMILESCC1(C)OC[C@@H](COCc2ccccc2)N1C(=O)OCc1ccccc1
InChIInChI=1S/C21H25NO4/c1-21(2)22(20(23)25-14-18-11-7-4-8-12-18)19(16-26-21)15-24-13-17-9-5-3-6-10-17/h3-12,19H,13-16H2,1-2H3/t19-/m1/s1
InChIKeyQTHHPQHTLDEVRQ-LJQANCHMSA-N
MW355.43 g/mol
LogP3.98
Rot. Bonds6

About benzyl (4R)-2,2-dimethyl-4-(phenylmethoxymethyl)-1,3-oxazolidine-3-carboxylate

benzyl (4R)-2,2-dimethyl-4-(phenylmethoxymethyl)-1,3-oxazolidine-3-carboxylate (PubChem CID 11002753) has the molecular formula C21H25NO4 and a molecular weight of 355.43 g/mol. Its IUPAC name is benzyl (4R)-2,2-dimethyl-4-(phenylmethoxymethyl)-1,3-oxazolidine-3-carboxylate.

Molecular Properties

Compound Namebenzyl (4R)-2,2-dimethyl-4-(phenylmethoxymethyl)-1,3-oxazolidine-3-carboxylate
PubChem CID11002753
Molecular FormulaC21H25NO4
Molecular Weight355.43 g/mol
Exact Mass355.18
IUPAC Namebenzyl (4R)-2,2-dimethyl-4-(phenylmethoxymethyl)-1,3-oxazolidine-3-carboxylate
SMILESCC1(C)OC[C@@H](COCc2ccccc2)N1C(=O)OCc1ccccc1
InChIInChI=1S/C21H25NO4/c1-21(2)22(20(23)25-14-18-11-7-4-8-12-18)19(16-26-21)15-24-13-17-9-5-3-6-10-17/h3-12,19H,13-16H2,1-2H3/t19-/m1/s1
InChIKeyQTHHPQHTLDEVRQ-LJQANCHMSA-N
XLogP3.98
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.43
LogP ≤ 53.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

benzyl 4-(hydroxymethyl)-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
CID 14633851
benzyl 4-(3-hydroxypropyl)-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
CID 67079773
benzyl (4R)-4-formyl-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
CID 11414364
benzyl (4R)-2,2-dimethyl-4-[(3-nitrophenoxy)methyl]-1,3-oxazolidine-3-carboxylate
CID 74223527
benzyl (4R)-4-[[(2-ethoxy-2-oxoethyl)-methylamino]methyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
CID 10808764
dimethyl (2S,5R)-5-[[(4S)-2,2-dimethyl-3-phenylmethoxycarbonyl-1,3-oxazolidin-4-yl]methyl]pyrrolidine-1,2-dicarboxylate
CID 122231297
benzyl (4S)-4-[(1R,3R)-1,3-dihydroxybutyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
CID 11537097
benzyl (4R)-4-[(1R,2S)-1,2-dihydroxy-3-oxo-4-[(2R,3S,4R,5R,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]butyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
CID 101153021
tert-butyl (4S)-2,2-dimethyl-4-[[1-(phenylmethoxymethyl)cyclopropyl]methyl]-1,3-oxazolidine-3-carboxylate
CID 22882480
benzyl (4R)-4-[(E)-2-[4-[(E)-2-[(4R)-2,2-dimethyl-3-phenylmethoxycarbonyl-1,3-oxazolidin-4-yl]ethenyl]-1-methylpyrrol-3-yl]ethenyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
CID 101170009
benzyl 4-[2-(5-acetamido-3-fluoro-2-methylphenyl)ethyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
CID 170266997
(2S,5S)-5-[2-[(4R)-2,2-dimethyl-3-[(2-methylpropan-2-yl)oxycarbonyl]-1,3-oxazolidin-4-yl]ethyl]-1-phenylmethoxycarbonylpyrrolidine-2-carboxylic acid
CID 135012792

Frequently Asked Questions

What is the IUPAC name of benzyl (4R)-2,2-dimethyl-4-(phenylmethoxymethyl)-1,3-oxazolidine-3-carboxylate?
The IUPAC name of benzyl (4R)-2,2-dimethyl-4-(phenylmethoxymethyl)-1,3-oxazolidine-3-carboxylate (CID 11002753) is benzyl (4R)-2,2-dimethyl-4-(phenylmethoxymethyl)-1,3-oxazolidine-3-carboxylate.
What is the SMILES notation for benzyl (4R)-2,2-dimethyl-4-(phenylmethoxymethyl)-1,3-oxazolidine-3-carboxylate?
The canonical SMILES for benzyl (4R)-2,2-dimethyl-4-(phenylmethoxymethyl)-1,3-oxazolidine-3-carboxylate is CC1(C)OC[C@@H](COCc2ccccc2)N1C(=O)OCc1ccccc1.
What is the InChIKey of benzyl (4R)-2,2-dimethyl-4-(phenylmethoxymethyl)-1,3-oxazolidine-3-carboxylate?
The InChIKey is QTHHPQHTLDEVRQ-LJQANCHMSA-N. The full InChI is InChI=1S/C21H25NO4/c1-21(2)22(20(23)25-14-18-11-7-4-8-12-18)19(16-26-21)15-24-13-17-9-5-3-6-10-17/h3-12,19H,13-16H2,1-2H3/t19-/m1/s1.
What are the key properties of benzyl (4R)-2,2-dimethyl-4-(phenylmethoxymethyl)-1,3-oxazolidine-3-carboxylate?
benzyl (4R)-2,2-dimethyl-4-(phenylmethoxymethyl)-1,3-oxazolidine-3-carboxylate has a molecular weight of 355.43 g/mol, XLogP of 3.98, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl (4R)-2,2-dimethyl-4-(phenylmethoxymethyl)-1,3-oxazolidine-3-carboxylate is sourced from PubChem (CID 11002753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).