tert-butyl 3-[(2R,4S)-3-benzoyl-2-methyl-2-phenyl-1,3-oxazolidin-4-yl]propanoate

C24H29NO4 — CID 23246065

IUPACtert-butyl 3-[(2R,4S)-3-benzoyl-2-methyl-2-phenyl-1,3-oxazolidin-4-yl]propanoate
SMILESCC(C)(C)OC(=O)CC[C@H]1CO[C@](C)(c2ccccc2)N1C(=O)c1ccccc1
InChIInChI=1S/C24H29NO4/c1-23(2,3)29-21(26)16-15-20-17-28-24(4,19-13-9-6-10-14-19)25(20)22(27)18-11-7-5-8-12-18/h5-14,20H,15-17H2,1-4H3/t20-,24+/m0/s1
InChIKeyNNNZTZMKEPDMHB-GBXCKJPGSA-N
MW395.50 g/mol
LogP4.52
Rot. Bonds5

About tert-butyl 3-[(2R,4S)-3-benzoyl-2-methyl-2-phenyl-1,3-oxazolidin-4-yl]propanoate

tert-butyl 3-[(2R,4S)-3-benzoyl-2-methyl-2-phenyl-1,3-oxazolidin-4-yl]propanoate (PubChem CID 23246065) has the molecular formula C24H29NO4 and a molecular weight of 395.50 g/mol. Its IUPAC name is tert-butyl 3-[(2R,4S)-3-benzoyl-2-methyl-2-phenyl-1,3-oxazolidin-4-yl]propanoate.

Molecular Properties

Compound Nametert-butyl 3-[(2R,4S)-3-benzoyl-2-methyl-2-phenyl-1,3-oxazolidin-4-yl]propanoate
PubChem CID23246065
Molecular FormulaC24H29NO4
Molecular Weight395.50 g/mol
Exact Mass395.21
IUPAC Nametert-butyl 3-[(2R,4S)-3-benzoyl-2-methyl-2-phenyl-1,3-oxazolidin-4-yl]propanoate
SMILESCC(C)(C)OC(=O)CC[C@H]1CO[C@](C)(c2ccccc2)N1C(=O)c1ccccc1
InChIInChI=1S/C24H29NO4/c1-23(2,3)29-21(26)16-15-20-17-28-24(4,19-13-9-6-10-14-19)25(20)22(27)18-11-7-5-8-12-18/h5-14,20H,15-17H2,1-4H3/t20-,24+/m0/s1
InChIKeyNNNZTZMKEPDMHB-GBXCKJPGSA-N
XLogP4.52
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.50
LogP ≤ 54.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze tert-butyl 3-[(2R,4S)-3-benzoyl-2-methyl-2-phenyl-1,3-oxazolidin-4-yl]propanoate with MolForge

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Related Compounds

[1-[(4R)-2,2-dimethyl-4-phenyl-1,3-oxazolidin-3-yl]-4-[(2-methylpropan-2-yl)oxy]-4-oxobutylidene]chromium
CID 135076519
tert-butyl (4R)-2,2-dimethyl-4-(2-phenylethyl)-1,3-oxazolidine-3-carboxylate
CID 10990397
tert-butyl (4S)-2,2-dimethyl-4-(2-phenylethyl)-1,3-oxazolidine-3-carboxylate
CID 15850664
3-[(4S)-2,2-dimethyl-3-[(2-methylpropan-2-yl)oxycarbonyl]-1,3-oxazolidin-4-yl]propanoic acid
CID 10635974
tert-butyl 2-[(2S,4R)-3-benzoyl-4-methyl-5-oxo-2-phenyl-1,3-oxazolidin-4-yl]acetate
CID 134870526
tert-butyl 4-oxo-4-phenylbutanoate
CID 11746573
tert-butyl (4S)-4-[3-[(4S)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]-3-oxopropyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate;ethane
CID 142046249
tert-butyl (4S)-4-[(2R)-2-hydroxy-2-phenylethyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
CID 91369582
tert-butyl 2,2-dimethyl-4-[(N-methylanilino)methyl]-1,3-oxazolidine-3-carboxylate
CID 67271529
4-O-tert-butyl 1-O-(4-phenylpiperidin-4-yl) butanedioate
CID 167316030
tert-butyl 3-[(2R)-1-hydroxy-4-oxoazetidin-2-yl]propanoate
CID 10036217
tert-butyl 2-[(5-benzoyl-6-oxo-5-azaspiro[2.3]hexane-4-carbonyl)amino]acetate
CID 11210545

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-[(2R,4S)-3-benzoyl-2-methyl-2-phenyl-1,3-oxazolidin-4-yl]propanoate?
The IUPAC name of tert-butyl 3-[(2R,4S)-3-benzoyl-2-methyl-2-phenyl-1,3-oxazolidin-4-yl]propanoate (CID 23246065) is tert-butyl 3-[(2R,4S)-3-benzoyl-2-methyl-2-phenyl-1,3-oxazolidin-4-yl]propanoate.
What is the SMILES notation for tert-butyl 3-[(2R,4S)-3-benzoyl-2-methyl-2-phenyl-1,3-oxazolidin-4-yl]propanoate?
The canonical SMILES for tert-butyl 3-[(2R,4S)-3-benzoyl-2-methyl-2-phenyl-1,3-oxazolidin-4-yl]propanoate is CC(C)(C)OC(=O)CC[C@H]1CO[C@](C)(c2ccccc2)N1C(=O)c1ccccc1.
What is the InChIKey of tert-butyl 3-[(2R,4S)-3-benzoyl-2-methyl-2-phenyl-1,3-oxazolidin-4-yl]propanoate?
The InChIKey is NNNZTZMKEPDMHB-GBXCKJPGSA-N. The full InChI is InChI=1S/C24H29NO4/c1-23(2,3)29-21(26)16-15-20-17-28-24(4,19-13-9-6-10-14-19)25(20)22(27)18-11-7-5-8-12-18/h5-14,20H,15-17H2,1-4H3/t20-,24+/m0/s1.
What are the key properties of tert-butyl 3-[(2R,4S)-3-benzoyl-2-methyl-2-phenyl-1,3-oxazolidin-4-yl]propanoate?
tert-butyl 3-[(2R,4S)-3-benzoyl-2-methyl-2-phenyl-1,3-oxazolidin-4-yl]propanoate has a molecular weight of 395.50 g/mol, XLogP of 4.52, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-[(2R,4S)-3-benzoyl-2-methyl-2-phenyl-1,3-oxazolidin-4-yl]propanoate is sourced from PubChem (CID 23246065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).