ethyl (3S)-3-[(4R,5S)-2-oxo-4,5-diphenyl-1,3-oxazolidin-3-yl]pentanoate

C22H25NO4 — CID 101262923

IUPACethyl (3S)-3-[(4R,5S)-2-oxo-4,5-diphenyl-1,3-oxazolidin-3-yl]pentanoate
SMILESCCOC(=O)CC(CC)N1C(=O)O[C@@H](c2ccccc2)[C@H]1c1ccccc1
InChIInChI=1S/C22H25NO4/c1-3-18(15-19(24)26-4-2)23-20(16-11-7-5-8-12-16)21(27-22(23)25)17-13-9-6-10-14-17/h5-14,18,20-21H,3-4,15H2,1-2H3/t18?,20-,21+/m1/s1
InChIKeyJKESQNANOCYVMB-HBYOEVMUSA-N
MW367.45 g/mol
LogP4.65
Rot. Bonds7

About ethyl (3S)-3-[(4R,5S)-2-oxo-4,5-diphenyl-1,3-oxazolidin-3-yl]pentanoate

ethyl (3S)-3-[(4R,5S)-2-oxo-4,5-diphenyl-1,3-oxazolidin-3-yl]pentanoate (PubChem CID 101262923) has the molecular formula C22H25NO4 and a molecular weight of 367.45 g/mol. Its IUPAC name is ethyl (3S)-3-[(4R,5S)-2-oxo-4,5-diphenyl-1,3-oxazolidin-3-yl]pentanoate.

Molecular Properties

Compound Nameethyl (3S)-3-[(4R,5S)-2-oxo-4,5-diphenyl-1,3-oxazolidin-3-yl]pentanoate
PubChem CID101262923
Molecular FormulaC22H25NO4
Molecular Weight367.45 g/mol
Exact Mass367.18
IUPAC Nameethyl (3S)-3-[(4R,5S)-2-oxo-4,5-diphenyl-1,3-oxazolidin-3-yl]pentanoate
SMILESCCOC(=O)CC(CC)N1C(=O)O[C@@H](c2ccccc2)[C@H]1c1ccccc1
InChIInChI=1S/C22H25NO4/c1-3-18(15-19(24)26-4-2)23-20(16-11-7-5-8-12-16)21(27-22(23)25)17-13-9-6-10-14-17/h5-14,18,20-21H,3-4,15H2,1-2H3/t18?,20-,21+/m1/s1
InChIKeyJKESQNANOCYVMB-HBYOEVMUSA-N
XLogP4.65
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.45
LogP ≤ 54.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl (3S)-3-[(4R,5S)-2-oxo-4,5-diphenyl-1,3-oxazolidin-3-yl]pentanoate?
The IUPAC name of ethyl (3S)-3-[(4R,5S)-2-oxo-4,5-diphenyl-1,3-oxazolidin-3-yl]pentanoate (CID 101262923) is ethyl (3S)-3-[(4R,5S)-2-oxo-4,5-diphenyl-1,3-oxazolidin-3-yl]pentanoate.
What is the SMILES notation for ethyl (3S)-3-[(4R,5S)-2-oxo-4,5-diphenyl-1,3-oxazolidin-3-yl]pentanoate?
The canonical SMILES for ethyl (3S)-3-[(4R,5S)-2-oxo-4,5-diphenyl-1,3-oxazolidin-3-yl]pentanoate is CCOC(=O)CC(CC)N1C(=O)O[C@@H](c2ccccc2)[C@H]1c1ccccc1.
What is the InChIKey of ethyl (3S)-3-[(4R,5S)-2-oxo-4,5-diphenyl-1,3-oxazolidin-3-yl]pentanoate?
The InChIKey is JKESQNANOCYVMB-HBYOEVMUSA-N. The full InChI is InChI=1S/C22H25NO4/c1-3-18(15-19(24)26-4-2)23-20(16-11-7-5-8-12-16)21(27-22(23)25)17-13-9-6-10-14-17/h5-14,18,20-21H,3-4,15H2,1-2H3/t18?,20-,21+/m1/s1.
What are the key properties of ethyl (3S)-3-[(4R,5S)-2-oxo-4,5-diphenyl-1,3-oxazolidin-3-yl]pentanoate?
ethyl (3S)-3-[(4R,5S)-2-oxo-4,5-diphenyl-1,3-oxazolidin-3-yl]pentanoate has a molecular weight of 367.45 g/mol, XLogP of 4.65, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (3S)-3-[(4R,5S)-2-oxo-4,5-diphenyl-1,3-oxazolidin-3-yl]pentanoate is sourced from PubChem (CID 101262923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).