(2R)-1-[(4R)-4-benzyl-1,3-oxazolidin-3-yl]-2-[(4-tert-butylphenyl)methyl]-3-methylbutan-1-one

C26H35NO2 — CID 57478819

IUPAC(2R)-1-[(4R)-4-benzyl-1,3-oxazolidin-3-yl]-2-[(4-tert-butylphenyl)methyl]-3-methylbutan-1-one
SMILESCC(C)[C@@H](Cc1ccc(C(C)(C)C)cc1)C(=O)N1COC[C@H]1Cc1ccccc1
InChIInChI=1S/C26H35NO2/c1-19(2)24(16-21-11-13-22(14-12-21)26(3,4)5)25(28)27-18-29-17-23(27)15-20-9-7-6-8-10-20/h6-14,19,23-24H,15-18H2,1-5H3/t23-,24-/m1/s1
InChIKeyGPLIZCLSUCSMRZ-DNQXCXABSA-N
MW393.57 g/mol
LogP5.23
Rot. Bonds6

About (2R)-1-[(4R)-4-benzyl-1,3-oxazolidin-3-yl]-2-[(4-tert-butylphenyl)methyl]-3-methylbutan-1-one

(2R)-1-[(4R)-4-benzyl-1,3-oxazolidin-3-yl]-2-[(4-tert-butylphenyl)methyl]-3-methylbutan-1-one (PubChem CID 57478819) has the molecular formula C26H35NO2 and a molecular weight of 393.57 g/mol. Its IUPAC name is (2R)-1-[(4R)-4-benzyl-1,3-oxazolidin-3-yl]-2-[(4-tert-butylphenyl)methyl]-3-methylbutan-1-one.

Molecular Properties

Compound Name(2R)-1-[(4R)-4-benzyl-1,3-oxazolidin-3-yl]-2-[(4-tert-butylphenyl)methyl]-3-methylbutan-1-one
PubChem CID57478819
Molecular FormulaC26H35NO2
Molecular Weight393.57 g/mol
Exact Mass393.27
IUPAC Name(2R)-1-[(4R)-4-benzyl-1,3-oxazolidin-3-yl]-2-[(4-tert-butylphenyl)methyl]-3-methylbutan-1-one
SMILESCC(C)[C@@H](Cc1ccc(C(C)(C)C)cc1)C(=O)N1COC[C@H]1Cc1ccccc1
InChIInChI=1S/C26H35NO2/c1-19(2)24(16-21-11-13-22(14-12-21)26(3,4)5)25(28)27-18-29-17-23(27)15-20-9-7-6-8-10-20/h6-14,19,23-24H,15-18H2,1-5H3/t23-,24-/m1/s1
InChIKeyGPLIZCLSUCSMRZ-DNQXCXABSA-N
XLogP5.23
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500393.57
LogP ≤ 55.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (2R)-1-[(4R)-4-benzyl-1,3-oxazolidin-3-yl]-2-[(4-tert-butylphenyl)methyl]-3-methylbutan-1-one with MolForge

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Related Compounds

Dextromoramide
CID 92943
1-((3R)-3-Methyl-4-(4-morpholinyl)-1-oxo-2,2-diphenylbutyl)pyrrolidine
CID 10453145
Racemoramide
CID 9648
(R)-Methyl 3-(4'-(2-(2-Methylpyrrolidin-1-yl)ethyl)biphenyl-4-yl)propanoate
CID 78324787
(R)-Ethyl 3-(4'-(2-(2-Methylpyrrolidin-1-yl)ethyl)biphenyl-4-yl)propanoate
CID 78324789
2-Oxazolidinone, 3-(1-oxodecyl)-4-(phenylmethyl)-, (4S)-
CID 10496737
4-Benzyl-3-propionyl-1,3-oxazolidine
CID 11842098
(2S)-2-amino-1-(2,2-dimethyl-1,3-oxazolidin-3-yl)-3-(4-phenylphenyl)propan-1-one
CID 23645383
1-Oxa-4-azaspiro[4.5]decane, 4-[4-(1,1-dimethylethyl)benzoyl]-
CID 335167
[(4R,5S)-3-butyl-2-oxo-4-(3-phenylpropyl)-1,3-oxazolidin-5-yl]methyl cyclohexanecarboxylate
CID 44413323
1-[(2S)-2-[[(E)-11-(4-phenylphenyl)undec-10-enoxy]methyl]pyrrolidin-1-yl]ethanone
CID 145964685
(2S)-2-[[(E)-8-(4-phenylphenyl)oct-7-enoxy]methyl]pyrrolidine-1-carbaldehyde
CID 145967003

Frequently Asked Questions

What is the IUPAC name of (2R)-1-[(4R)-4-benzyl-1,3-oxazolidin-3-yl]-2-[(4-tert-butylphenyl)methyl]-3-methylbutan-1-one?
The IUPAC name of (2R)-1-[(4R)-4-benzyl-1,3-oxazolidin-3-yl]-2-[(4-tert-butylphenyl)methyl]-3-methylbutan-1-one (CID 57478819) is (2R)-1-[(4R)-4-benzyl-1,3-oxazolidin-3-yl]-2-[(4-tert-butylphenyl)methyl]-3-methylbutan-1-one.
What is the SMILES notation for (2R)-1-[(4R)-4-benzyl-1,3-oxazolidin-3-yl]-2-[(4-tert-butylphenyl)methyl]-3-methylbutan-1-one?
The canonical SMILES for (2R)-1-[(4R)-4-benzyl-1,3-oxazolidin-3-yl]-2-[(4-tert-butylphenyl)methyl]-3-methylbutan-1-one is CC(C)[C@@H](Cc1ccc(C(C)(C)C)cc1)C(=O)N1COC[C@H]1Cc1ccccc1.
What is the InChIKey of (2R)-1-[(4R)-4-benzyl-1,3-oxazolidin-3-yl]-2-[(4-tert-butylphenyl)methyl]-3-methylbutan-1-one?
The InChIKey is GPLIZCLSUCSMRZ-DNQXCXABSA-N. The full InChI is InChI=1S/C26H35NO2/c1-19(2)24(16-21-11-13-22(14-12-21)26(3,4)5)25(28)27-18-29-17-23(27)15-20-9-7-6-8-10-20/h6-14,19,23-24H,15-18H2,1-5H3/t23-,24-/m1/s1.
What are the key properties of (2R)-1-[(4R)-4-benzyl-1,3-oxazolidin-3-yl]-2-[(4-tert-butylphenyl)methyl]-3-methylbutan-1-one?
(2R)-1-[(4R)-4-benzyl-1,3-oxazolidin-3-yl]-2-[(4-tert-butylphenyl)methyl]-3-methylbutan-1-one has a molecular weight of 393.57 g/mol, XLogP of 5.23, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[(4R)-4-benzyl-1,3-oxazolidin-3-yl]-2-[(4-tert-butylphenyl)methyl]-3-methylbutan-1-one is sourced from PubChem (CID 57478819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).