(4R)-4-methyl-3-[(2S)-2-methyl-3-phenylpropanoyl]-5,5-diphenyl-1,3-oxazolidin-2-one

C26H25NO3 — CID 10501109

IUPAC(4R)-4-methyl-3-[(2S)-2-methyl-3-phenylpropanoyl]-5,5-diphenyl-1,3-oxazolidin-2-one
SMILESC[C@@H](Cc1ccccc1)C(=O)N1C(=O)OC(c2ccccc2)(c2ccccc2)[C@H]1C
InChIInChI=1S/C26H25NO3/c1-19(18-21-12-6-3-7-13-21)24(28)27-20(2)26(30-25(27)29,22-14-8-4-9-15-22)23-16-10-5-11-17-23/h3-17,19-20H,18H2,1-2H3/t19-,20+/m0/s1
InChIKeyJMWQKDVFXXYUQX-VQTJNVASSA-N
MW399.49 g/mol
LogP5.18
Rot. Bonds5

About (4R)-4-methyl-3-[(2S)-2-methyl-3-phenylpropanoyl]-5,5-diphenyl-1,3-oxazolidin-2-one

(4R)-4-methyl-3-[(2S)-2-methyl-3-phenylpropanoyl]-5,5-diphenyl-1,3-oxazolidin-2-one (PubChem CID 10501109) has the molecular formula C26H25NO3 and a molecular weight of 399.49 g/mol. Its IUPAC name is (4R)-4-methyl-3-[(2S)-2-methyl-3-phenylpropanoyl]-5,5-diphenyl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4R)-4-methyl-3-[(2S)-2-methyl-3-phenylpropanoyl]-5,5-diphenyl-1,3-oxazolidin-2-one
PubChem CID10501109
Molecular FormulaC26H25NO3
Molecular Weight399.49 g/mol
Exact Mass399.18
IUPAC Name(4R)-4-methyl-3-[(2S)-2-methyl-3-phenylpropanoyl]-5,5-diphenyl-1,3-oxazolidin-2-one
SMILESC[C@@H](Cc1ccccc1)C(=O)N1C(=O)OC(c2ccccc2)(c2ccccc2)[C@H]1C
InChIInChI=1S/C26H25NO3/c1-19(18-21-12-6-3-7-13-21)24(28)27-20(2)26(30-25(27)29,22-14-8-4-9-15-22)23-16-10-5-11-17-23/h3-17,19-20H,18H2,1-2H3/t19-,20+/m0/s1
InChIKeyJMWQKDVFXXYUQX-VQTJNVASSA-N
XLogP5.18
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500399.49
LogP ≤ 55.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (4R)-4-methyl-3-[(2S)-2-methyl-3-phenylpropanoyl]-5,5-diphenyl-1,3-oxazolidin-2-one with MolForge

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Related Compounds

(4S)-4-benzyl-5,5-dimethyl-3-[(2S)-2-methyl-3-phenylpropanoyl]-1,3-oxazolidin-2-one
CID 10937055
(4S)-3-(2-methyl-3-phenylpropanoyl)-4-propan-2-yl-1,3-oxazolidin-2-one
CID 134835001
benzyl N-[(2S)-2-methyl-3-oxo-3-[(4R)-2-oxo-5,5-diphenyl-4-propan-2-yl-1,3-oxazolidin-3-yl]propyl]carbamate
CID 101258981
(4R)-5,5-diphenyl-3-propanoyl-4-propan-2-yl-1,3-oxazolidin-2-one
CID 15854117
3-[(2R)-2-methyl-3-phenylpropanoyl]-4-phenyl-1,3-oxazolidin-2-one
CID 145030895
5,5-dimethyl-3-[(2S)-2-methyl-3-phenylpropanoyl]-1,3-oxazolidin-2-one
CID 100950638
(4S)-3-[(2S)-2-(4-chlorophenyl)propanoyl]-4,5,5-triphenyl-1,3-oxazolidin-2-one
CID 102413091
(4R)-3-[(2R,3S,4S)-3,5-dihydroxy-2,4-dimethylpentanoyl]-5,5-diphenyl-4-propan-2-yl-1,3-oxazolidin-2-one
CID 69363114
(4S)-3-[(2S)-2-(methoxymethoxy)-2-phenylacetyl]-5,5-diphenyl-4-propan-2-yl-1,3-oxazolidin-2-one
CID 15893991
(4S)-4-benzyl-3-[(2S)-3-(4-hydroxyphenyl)-2-methylpropanoyl]-1,3-oxazolidin-2-one
CID 58566621
5,5-diphenyl-4-propan-2-yl-3-prop-2-enoyl-1,3-oxazolidin-2-one
CID 5251096
2-[3-oxo-3-(2-oxo-5,5-diphenyl-4-propan-2-yl-1,3-oxazolidin-3-yl)propyl]isoindole-1,3-dione
CID 85319366

Frequently Asked Questions

What is the IUPAC name of (4R)-4-methyl-3-[(2S)-2-methyl-3-phenylpropanoyl]-5,5-diphenyl-1,3-oxazolidin-2-one?
The IUPAC name of (4R)-4-methyl-3-[(2S)-2-methyl-3-phenylpropanoyl]-5,5-diphenyl-1,3-oxazolidin-2-one (CID 10501109) is (4R)-4-methyl-3-[(2S)-2-methyl-3-phenylpropanoyl]-5,5-diphenyl-1,3-oxazolidin-2-one.
What is the SMILES notation for (4R)-4-methyl-3-[(2S)-2-methyl-3-phenylpropanoyl]-5,5-diphenyl-1,3-oxazolidin-2-one?
The canonical SMILES for (4R)-4-methyl-3-[(2S)-2-methyl-3-phenylpropanoyl]-5,5-diphenyl-1,3-oxazolidin-2-one is C[C@@H](Cc1ccccc1)C(=O)N1C(=O)OC(c2ccccc2)(c2ccccc2)[C@H]1C.
What is the InChIKey of (4R)-4-methyl-3-[(2S)-2-methyl-3-phenylpropanoyl]-5,5-diphenyl-1,3-oxazolidin-2-one?
The InChIKey is JMWQKDVFXXYUQX-VQTJNVASSA-N. The full InChI is InChI=1S/C26H25NO3/c1-19(18-21-12-6-3-7-13-21)24(28)27-20(2)26(30-25(27)29,22-14-8-4-9-15-22)23-16-10-5-11-17-23/h3-17,19-20H,18H2,1-2H3/t19-,20+/m0/s1.
What are the key properties of (4R)-4-methyl-3-[(2S)-2-methyl-3-phenylpropanoyl]-5,5-diphenyl-1,3-oxazolidin-2-one?
(4R)-4-methyl-3-[(2S)-2-methyl-3-phenylpropanoyl]-5,5-diphenyl-1,3-oxazolidin-2-one has a molecular weight of 399.49 g/mol, XLogP of 5.18, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-methyl-3-[(2S)-2-methyl-3-phenylpropanoyl]-5,5-diphenyl-1,3-oxazolidin-2-one is sourced from PubChem (CID 10501109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).