benzyl (3S)-5-[(4S)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]-5-oxo-3-propan-2-ylpentanoate

C25H29NO5 — CID 10764752

IUPACbenzyl (3S)-5-[(4S)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]-5-oxo-3-propan-2-ylpentanoate
SMILESCC(C)[C@H](CC(=O)OCc1ccccc1)CC(=O)N1C(=O)OC[C@@H]1Cc1ccccc1
InChIInChI=1S/C25H29NO5/c1-18(2)21(15-24(28)30-16-20-11-7-4-8-12-20)14-23(27)26-22(17-31-25(26)29)13-19-9-5-3-6-10-19/h3-12,18,21-22H,13-17H2,1-2H3/t21-,22-/m0/s1
InChIKeyLXAVNIFLSRLMIB-VXKWHMMOSA-N
MW423.51 g/mol
LogP4.37
Rot. Bonds9

About benzyl (3S)-5-[(4S)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]-5-oxo-3-propan-2-ylpentanoate

benzyl (3S)-5-[(4S)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]-5-oxo-3-propan-2-ylpentanoate (PubChem CID 10764752) has the molecular formula C25H29NO5 and a molecular weight of 423.51 g/mol. Its IUPAC name is benzyl (3S)-5-[(4S)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]-5-oxo-3-propan-2-ylpentanoate.

Molecular Properties

Compound Namebenzyl (3S)-5-[(4S)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]-5-oxo-3-propan-2-ylpentanoate
PubChem CID10764752
Molecular FormulaC25H29NO5
Molecular Weight423.51 g/mol
Exact Mass423.20
IUPAC Namebenzyl (3S)-5-[(4S)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]-5-oxo-3-propan-2-ylpentanoate
SMILESCC(C)[C@H](CC(=O)OCc1ccccc1)CC(=O)N1C(=O)OC[C@@H]1Cc1ccccc1
InChIInChI=1S/C25H29NO5/c1-18(2)21(15-24(28)30-16-20-11-7-4-8-12-20)14-23(27)26-22(17-31-25(26)29)13-19-9-5-3-6-10-19/h3-12,18,21-22H,13-17H2,1-2H3/t21-,22-/m0/s1
InChIKeyLXAVNIFLSRLMIB-VXKWHMMOSA-N
XLogP4.37
TPSA72.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.51
LogP ≤ 54.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze benzyl (3S)-5-[(4S)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]-5-oxo-3-propan-2-ylpentanoate with MolForge

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Launch Full Analysis

Related Compounds

(4R)-4-benzyl-3-(4-methyl-3-phenylpentanoyl)-1,3-oxazolidin-2-one
CID 100948287
benzyl 3-benzyl-4-[(4S)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]-4-oxobutanoate
CID 70043070
benzyl (3R)-3-benzyl-4-[(4S)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]-4-oxobutanoate
CID 18658173
(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
benzyl (2S,3S)-3-[(4R)-4-benzyl-2-oxo-1,3-oxazolidine-3-carbonyl]-2-methyl-5-phenylpentanoate
CID 10323107
benzyl 4-[(4S)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]-3-(naphthalen-1-ylmethyl)-4-oxobutanoate
CID 18658183
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
(4S)-4-benzyl-3-[(2S)-2-bromo-3-methylbutanoyl]-1,3-oxazolidin-2-one
CID 14604024
(4R)-4-benzyl-3-[(2S)-2,3,3-trimethylbutanoyl]-1,3-oxazolidin-2-one
CID 118941522

Frequently Asked Questions

What is the IUPAC name of benzyl (3S)-5-[(4S)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]-5-oxo-3-propan-2-ylpentanoate?
The IUPAC name of benzyl (3S)-5-[(4S)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]-5-oxo-3-propan-2-ylpentanoate (CID 10764752) is benzyl (3S)-5-[(4S)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]-5-oxo-3-propan-2-ylpentanoate.
What is the SMILES notation for benzyl (3S)-5-[(4S)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]-5-oxo-3-propan-2-ylpentanoate?
The canonical SMILES for benzyl (3S)-5-[(4S)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]-5-oxo-3-propan-2-ylpentanoate is CC(C)[C@H](CC(=O)OCc1ccccc1)CC(=O)N1C(=O)OC[C@@H]1Cc1ccccc1.
What is the InChIKey of benzyl (3S)-5-[(4S)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]-5-oxo-3-propan-2-ylpentanoate?
The InChIKey is LXAVNIFLSRLMIB-VXKWHMMOSA-N. The full InChI is InChI=1S/C25H29NO5/c1-18(2)21(15-24(28)30-16-20-11-7-4-8-12-20)14-23(27)26-22(17-31-25(26)29)13-19-9-5-3-6-10-19/h3-12,18,21-22H,13-17H2,1-2H3/t21-,22-/m0/s1.
What are the key properties of benzyl (3S)-5-[(4S)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]-5-oxo-3-propan-2-ylpentanoate?
benzyl (3S)-5-[(4S)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]-5-oxo-3-propan-2-ylpentanoate has a molecular weight of 423.51 g/mol, XLogP of 4.37, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl (3S)-5-[(4S)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]-5-oxo-3-propan-2-ylpentanoate is sourced from PubChem (CID 10764752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).