benzyl (2R)-3-cyclohexyl-2-[(4S,5R)-2-oxo-4,5-diphenyl-1,3-oxazolidin-3-yl]propanoate

C31H33NO4 — CID 11812884

IUPACbenzyl (2R)-3-cyclohexyl-2-[(4S,5R)-2-oxo-4,5-diphenyl-1,3-oxazolidin-3-yl]propanoate
SMILESO=C(OCc1ccccc1)[C@@H](CC1CCCCC1)N1C(=O)O[C@H](c2ccccc2)[C@@H]1c1ccccc1
InChIInChI=1S/C31H33NO4/c33-30(35-22-24-15-7-2-8-16-24)27(21-23-13-5-1-6-14-23)32-28(25-17-9-3-10-18-25)29(36-31(32)34)26-19-11-4-12-20-26/h2-4,7-12,15-20,23,27-29H,1,5-6,13-14,21-22H2/t27-,28+,29-/m1/s1
InChIKeyFZMOGMSNVVUFNT-SSBOKUKZSA-N
MW483.61 g/mol
LogP7.00
Rot. Bonds8

About benzyl (2R)-3-cyclohexyl-2-[(4S,5R)-2-oxo-4,5-diphenyl-1,3-oxazolidin-3-yl]propanoate

benzyl (2R)-3-cyclohexyl-2-[(4S,5R)-2-oxo-4,5-diphenyl-1,3-oxazolidin-3-yl]propanoate (PubChem CID 11812884) has the molecular formula C31H33NO4 and a molecular weight of 483.61 g/mol. Its IUPAC name is benzyl (2R)-3-cyclohexyl-2-[(4S,5R)-2-oxo-4,5-diphenyl-1,3-oxazolidin-3-yl]propanoate.

Molecular Properties

Compound Namebenzyl (2R)-3-cyclohexyl-2-[(4S,5R)-2-oxo-4,5-diphenyl-1,3-oxazolidin-3-yl]propanoate
PubChem CID11812884
Molecular FormulaC31H33NO4
Molecular Weight483.61 g/mol
Exact Mass483.24
IUPAC Namebenzyl (2R)-3-cyclohexyl-2-[(4S,5R)-2-oxo-4,5-diphenyl-1,3-oxazolidin-3-yl]propanoate
SMILESO=C(OCc1ccccc1)[C@@H](CC1CCCCC1)N1C(=O)O[C@H](c2ccccc2)[C@@H]1c1ccccc1
InChIInChI=1S/C31H33NO4/c33-30(35-22-24-15-7-2-8-16-24)27(21-23-13-5-1-6-14-23)32-28(25-17-9-3-10-18-25)29(36-31(32)34)26-19-11-4-12-20-26/h2-4,7-12,15-20,23,27-29H,1,5-6,13-14,21-22H2/t27-,28+,29-/m1/s1
InChIKeyFZMOGMSNVVUFNT-SSBOKUKZSA-N
XLogP7.00
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500483.61
LogP ≤ 57.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze benzyl (2R)-3-cyclohexyl-2-[(4S,5R)-2-oxo-4,5-diphenyl-1,3-oxazolidin-3-yl]propanoate with MolForge

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Launch Full Analysis

Related Compounds

2-Dibenzylamino-3-phenyl-propionic acid benzyl ester
CID 375616
tert-butyl (2R,3S)-6-oxo-2,3-diphenylmorpholine-4-carboxylate
CID 981230
Benzyl (2S,3R)-(+)-6-oxo-2,3-diphenyl-4-morpholinecarboxylate
CID 981233
(2R,3S)-(-)-N-Z-6-oxo-2,3-diphenylmorpholine
CID 981238
Benzyl 6-oxo-2,3-diphenyl-4-morpholinecarboxylate
CID 3902786
tert-Butyl 6-oxo-2,3-diphenyl-4-morpholinecarboxylate
CID 4533742
Benzyl (2R,4R)-4-methyl-5-oxo-2-phenyl-1,3-oxazolidine-3-carboxylate
CID 10566995
benzyl 2-((3S,4R)-2-oxo-3-((S)-2-oxo-4-phenyloxazolidin-3-yl)-4-((E)-styryl)azetidin-1-yl)acetate
CID 44428418
(S)-benzyl 4-methyl-2-((3S,4R)-2-oxo-3-((S)-2-oxo-4-phenyloxazolidin-3-yl)-4-((E)-styryl)azetidin-1-yl)pentanoate
CID 44428420
benzyl (3S,5S,6R)-3-[(2-cyclopentylphenyl)methyl]-2-oxo-5,6-diphenylmorpholine-4-carboxylate
CID 44531135
2-Benzyl 1-methyl 2-benzylpyrrolidine-1,2-dicarboxylate
CID 46884738
2-[4-[4-fluoro-2-[[(4S,5R)-4-methyl-2-oxo-5-phenyl-1,3-oxazolidin-3-yl]methyl]phenyl]phenyl]acetic acid
CID 57391226

Frequently Asked Questions

What is the IUPAC name of benzyl (2R)-3-cyclohexyl-2-[(4S,5R)-2-oxo-4,5-diphenyl-1,3-oxazolidin-3-yl]propanoate?
The IUPAC name of benzyl (2R)-3-cyclohexyl-2-[(4S,5R)-2-oxo-4,5-diphenyl-1,3-oxazolidin-3-yl]propanoate (CID 11812884) is benzyl (2R)-3-cyclohexyl-2-[(4S,5R)-2-oxo-4,5-diphenyl-1,3-oxazolidin-3-yl]propanoate.
What is the SMILES notation for benzyl (2R)-3-cyclohexyl-2-[(4S,5R)-2-oxo-4,5-diphenyl-1,3-oxazolidin-3-yl]propanoate?
The canonical SMILES for benzyl (2R)-3-cyclohexyl-2-[(4S,5R)-2-oxo-4,5-diphenyl-1,3-oxazolidin-3-yl]propanoate is O=C(OCc1ccccc1)[C@@H](CC1CCCCC1)N1C(=O)O[C@H](c2ccccc2)[C@@H]1c1ccccc1.
What is the InChIKey of benzyl (2R)-3-cyclohexyl-2-[(4S,5R)-2-oxo-4,5-diphenyl-1,3-oxazolidin-3-yl]propanoate?
The InChIKey is FZMOGMSNVVUFNT-SSBOKUKZSA-N. The full InChI is InChI=1S/C31H33NO4/c33-30(35-22-24-15-7-2-8-16-24)27(21-23-13-5-1-6-14-23)32-28(25-17-9-3-10-18-25)29(36-31(32)34)26-19-11-4-12-20-26/h2-4,7-12,15-20,23,27-29H,1,5-6,13-14,21-22H2/t27-,28+,29-/m1/s1.
What are the key properties of benzyl (2R)-3-cyclohexyl-2-[(4S,5R)-2-oxo-4,5-diphenyl-1,3-oxazolidin-3-yl]propanoate?
benzyl (2R)-3-cyclohexyl-2-[(4S,5R)-2-oxo-4,5-diphenyl-1,3-oxazolidin-3-yl]propanoate has a molecular weight of 483.61 g/mol, XLogP of 7.00, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl (2R)-3-cyclohexyl-2-[(4S,5R)-2-oxo-4,5-diphenyl-1,3-oxazolidin-3-yl]propanoate is sourced from PubChem (CID 11812884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).