(4R)-4-benzyl-3-(4-methyl-3-phenylpentanoyl)-1,3-oxazolidin-2-one

C22H25NO3 — CID 100948287

IUPAC(4R)-4-benzyl-3-(4-methyl-3-phenylpentanoyl)-1,3-oxazolidin-2-one
SMILESCC(C)C(CC(=O)N1C(=O)OC[C@H]1Cc1ccccc1)c1ccccc1
InChIInChI=1S/C22H25NO3/c1-16(2)20(18-11-7-4-8-12-18)14-21(24)23-19(15-26-22(23)25)13-17-9-5-3-6-10-17/h3-12,16,19-20H,13-15H2,1-2H3/t19-,20?/m1/s1
InChIKeyPJZFLYNHBKLOIK-FIWHBWSRSA-N
MW351.45 g/mol
LogP4.41
Rot. Bonds6

About (4R)-4-benzyl-3-(4-methyl-3-phenylpentanoyl)-1,3-oxazolidin-2-one

(4R)-4-benzyl-3-(4-methyl-3-phenylpentanoyl)-1,3-oxazolidin-2-one (PubChem CID 100948287) has the molecular formula C22H25NO3 and a molecular weight of 351.45 g/mol. Its IUPAC name is (4R)-4-benzyl-3-(4-methyl-3-phenylpentanoyl)-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4R)-4-benzyl-3-(4-methyl-3-phenylpentanoyl)-1,3-oxazolidin-2-one
PubChem CID100948287
Molecular FormulaC22H25NO3
Molecular Weight351.45 g/mol
Exact Mass351.18
IUPAC Name(4R)-4-benzyl-3-(4-methyl-3-phenylpentanoyl)-1,3-oxazolidin-2-one
SMILESCC(C)C(CC(=O)N1C(=O)OC[C@H]1Cc1ccccc1)c1ccccc1
InChIInChI=1S/C22H25NO3/c1-16(2)20(18-11-7-4-8-12-18)14-21(24)23-19(15-26-22(23)25)13-17-9-5-3-6-10-17/h3-12,16,19-20H,13-15H2,1-2H3/t19-,20?/m1/s1
InChIKeyPJZFLYNHBKLOIK-FIWHBWSRSA-N
XLogP4.41
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.45
LogP ≤ 54.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

benzyl (3S)-5-[(4S)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]-5-oxo-3-propan-2-ylpentanoate
CID 10764752
(4S)-4-benzyl-3-[(2S)-2-bromo-3-methylbutanoyl]-1,3-oxazolidin-2-one
CID 14604024
(4S)-4-benzyl-3-[(2S,3S)-2-chloro-3-phenylpentanoyl]-1,3-oxazolidin-2-one
CID 10785479
(4S)-4-benzyl-3-[(3R)-3-diphenylphosphanyl-3-phenylpropanoyl]-1,3-oxazolidin-2-one
CID 11477431
(4R)-4-benzyl-3-(2-propan-2-yloxyacetyl)-1,3-oxazolidin-2-one
CID 90130755
4-benzyl-3-(2-phenylacetyl)-1,3-oxazolidin-2-one
CID 15597771
(4S)-4-benzyl-3-(2-phenylacetyl)-1,3-oxazolidin-2-one
CID 11130206
(4S)-4-benzyl-3-[(2S,3S)-3-hydroxy-2-methyl-3-phenylpropanoyl]-1,3-oxazolidin-2-one
CID 10497286
1,6-bis[(4R)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]hexane-1,6-dione
CID 92642348
(4R)-4-benzyl-3-(3-pentyloctanoyl)-1,3-oxazolidin-2-one
CID 177137787
(4R)-4-benzyl-3-[(2S)-2,3,3-trimethylbutanoyl]-1,3-oxazolidin-2-one
CID 118941522
(4S)-3-acetyl-4-benzyl-1,3-oxazolidin-2-one
CID 735929

Frequently Asked Questions

What is the IUPAC name of (4R)-4-benzyl-3-(4-methyl-3-phenylpentanoyl)-1,3-oxazolidin-2-one?
The IUPAC name of (4R)-4-benzyl-3-(4-methyl-3-phenylpentanoyl)-1,3-oxazolidin-2-one (CID 100948287) is (4R)-4-benzyl-3-(4-methyl-3-phenylpentanoyl)-1,3-oxazolidin-2-one.
What is the SMILES notation for (4R)-4-benzyl-3-(4-methyl-3-phenylpentanoyl)-1,3-oxazolidin-2-one?
The canonical SMILES for (4R)-4-benzyl-3-(4-methyl-3-phenylpentanoyl)-1,3-oxazolidin-2-one is CC(C)C(CC(=O)N1C(=O)OC[C@H]1Cc1ccccc1)c1ccccc1.
What is the InChIKey of (4R)-4-benzyl-3-(4-methyl-3-phenylpentanoyl)-1,3-oxazolidin-2-one?
The InChIKey is PJZFLYNHBKLOIK-FIWHBWSRSA-N. The full InChI is InChI=1S/C22H25NO3/c1-16(2)20(18-11-7-4-8-12-18)14-21(24)23-19(15-26-22(23)25)13-17-9-5-3-6-10-17/h3-12,16,19-20H,13-15H2,1-2H3/t19-,20?/m1/s1.
What are the key properties of (4R)-4-benzyl-3-(4-methyl-3-phenylpentanoyl)-1,3-oxazolidin-2-one?
(4R)-4-benzyl-3-(4-methyl-3-phenylpentanoyl)-1,3-oxazolidin-2-one has a molecular weight of 351.45 g/mol, XLogP of 4.41, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-benzyl-3-(4-methyl-3-phenylpentanoyl)-1,3-oxazolidin-2-one is sourced from PubChem (CID 100948287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).