(4R)-5,5-dimethyl-4-phenyl-3-[(2S)-2-phenylmethoxypropanoyl]-1,3-oxazolidin-2-one

C21H23NO4 — CID 12028153

IUPAC(4R)-5,5-dimethyl-4-phenyl-3-[(2S)-2-phenylmethoxypropanoyl]-1,3-oxazolidin-2-one
SMILESC[C@H](OCc1ccccc1)C(=O)N1C(=O)OC(C)(C)[C@H]1c1ccccc1
InChIInChI=1S/C21H23NO4/c1-15(25-14-16-10-6-4-7-11-16)19(23)22-18(17-12-8-5-9-13-17)21(2,3)26-20(22)24/h4-13,15,18H,14H2,1-3H3/t15-,18+/m0/s1
InChIKeySNPDEJYBNLGRCN-MAUKXSAKSA-N
MW353.42 g/mol
LogP4.09
Rot. Bonds5

About (4R)-5,5-dimethyl-4-phenyl-3-[(2S)-2-phenylmethoxypropanoyl]-1,3-oxazolidin-2-one

(4R)-5,5-dimethyl-4-phenyl-3-[(2S)-2-phenylmethoxypropanoyl]-1,3-oxazolidin-2-one (PubChem CID 12028153) has the molecular formula C21H23NO4 and a molecular weight of 353.42 g/mol. Its IUPAC name is (4R)-5,5-dimethyl-4-phenyl-3-[(2S)-2-phenylmethoxypropanoyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4R)-5,5-dimethyl-4-phenyl-3-[(2S)-2-phenylmethoxypropanoyl]-1,3-oxazolidin-2-one
PubChem CID12028153
Molecular FormulaC21H23NO4
Molecular Weight353.42 g/mol
Exact Mass353.16
IUPAC Name(4R)-5,5-dimethyl-4-phenyl-3-[(2S)-2-phenylmethoxypropanoyl]-1,3-oxazolidin-2-one
SMILESC[C@H](OCc1ccccc1)C(=O)N1C(=O)OC(C)(C)[C@H]1c1ccccc1
InChIInChI=1S/C21H23NO4/c1-15(25-14-16-10-6-4-7-11-16)19(23)22-18(17-12-8-5-9-13-17)21(2,3)26-20(22)24/h4-13,15,18H,14H2,1-3H3/t15-,18+/m0/s1
InChIKeySNPDEJYBNLGRCN-MAUKXSAKSA-N
XLogP4.09
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.42
LogP ≤ 54.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (4R)-5,5-dimethyl-4-phenyl-3-[(2S)-2-phenylmethoxypropanoyl]-1,3-oxazolidin-2-one with MolForge

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Related Compounds

tert-butyl (2R,3S)-6-oxo-2,3-diphenylmorpholine-4-carboxylate
CID 981230
tert-Butyl 6-oxo-2,3-diphenyl-4-morpholinecarboxylate
CID 4533742
Benzyl (2R,4R)-4-methyl-5-oxo-2-phenyl-1,3-oxazolidine-3-carboxylate
CID 10566995
COX inhibitor, 5a
CID 12444099
3,4-Dimethyl-2,5-diphenyl-1,3-oxazolidine
CID 434347
US9611232, Example 32
CID 90134544
1-Benzyl-2-methyl-3-phenylpyrrolidin-3-yl propanoate
CID 21149919
1,1-Dimethylethyl (2S,3R)-6-oxo-2,3-diphenyl-4-morpholinecarboxylate
CID 981225
COX inhibitor, 8
CID 11021865
3-Pyrrolidinol, 1-cinnamyl-2-methyl-3-phenyl-, propionate (ester)
CID 6446984
1-Methyl-2,3-diphenylpyrrolidin-3-yl propanoate
CID 21149891
2,5-Diphenyl-3,4-dimethyloxazolidine
CID 73585

Frequently Asked Questions

What is the IUPAC name of (4R)-5,5-dimethyl-4-phenyl-3-[(2S)-2-phenylmethoxypropanoyl]-1,3-oxazolidin-2-one?
The IUPAC name of (4R)-5,5-dimethyl-4-phenyl-3-[(2S)-2-phenylmethoxypropanoyl]-1,3-oxazolidin-2-one (CID 12028153) is (4R)-5,5-dimethyl-4-phenyl-3-[(2S)-2-phenylmethoxypropanoyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for (4R)-5,5-dimethyl-4-phenyl-3-[(2S)-2-phenylmethoxypropanoyl]-1,3-oxazolidin-2-one?
The canonical SMILES for (4R)-5,5-dimethyl-4-phenyl-3-[(2S)-2-phenylmethoxypropanoyl]-1,3-oxazolidin-2-one is C[C@H](OCc1ccccc1)C(=O)N1C(=O)OC(C)(C)[C@H]1c1ccccc1.
What is the InChIKey of (4R)-5,5-dimethyl-4-phenyl-3-[(2S)-2-phenylmethoxypropanoyl]-1,3-oxazolidin-2-one?
The InChIKey is SNPDEJYBNLGRCN-MAUKXSAKSA-N. The full InChI is InChI=1S/C21H23NO4/c1-15(25-14-16-10-6-4-7-11-16)19(23)22-18(17-12-8-5-9-13-17)21(2,3)26-20(22)24/h4-13,15,18H,14H2,1-3H3/t15-,18+/m0/s1.
What are the key properties of (4R)-5,5-dimethyl-4-phenyl-3-[(2S)-2-phenylmethoxypropanoyl]-1,3-oxazolidin-2-one?
(4R)-5,5-dimethyl-4-phenyl-3-[(2S)-2-phenylmethoxypropanoyl]-1,3-oxazolidin-2-one has a molecular weight of 353.42 g/mol, XLogP of 4.09, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-5,5-dimethyl-4-phenyl-3-[(2S)-2-phenylmethoxypropanoyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 12028153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).