benzyl (2R)-2-chloro-2-[(2R)-2-[(4R,5S)-2-oxo-4,5-diphenyl-1,3-oxazolidin-3-yl]spiro[2.2]pentan-2-yl]acetate

C29H26ClNO4 — CID 10767319

IUPACbenzyl (2R)-2-chloro-2-[(2R)-2-[(4R,5S)-2-oxo-4,5-diphenyl-1,3-oxazolidin-3-yl]spiro[2.2]pentan-2-yl]acetate
SMILESO=C(OCc1ccccc1)[C@H](Cl)[C@@]1(N2C(=O)O[C@@H](c3ccccc3)[C@H]2c2ccccc2)CC12CC2
InChIInChI=1S/C29H26ClNO4/c30-25(26(32)34-18-20-10-4-1-5-11-20)29(19-28(29)16-17-28)31-23(21-12-6-2-7-13-21)24(35-27(31)33)22-14-8-3-9-15-22/h1-15,23-25H,16-19H2/t23-,24+,25+,29+/m1/s1
InChIKeyPGZWTBHLPWBDNA-SGDZTBBFSA-N
MW487.98 g/mol
LogP6.19
Rot. Bonds7

About benzyl (2R)-2-chloro-2-[(2R)-2-[(4R,5S)-2-oxo-4,5-diphenyl-1,3-oxazolidin-3-yl]spiro[2.2]pentan-2-yl]acetate

benzyl (2R)-2-chloro-2-[(2R)-2-[(4R,5S)-2-oxo-4,5-diphenyl-1,3-oxazolidin-3-yl]spiro[2.2]pentan-2-yl]acetate (PubChem CID 10767319) has the molecular formula C29H26ClNO4 and a molecular weight of 487.98 g/mol. Its IUPAC name is benzyl (2R)-2-chloro-2-[(2R)-2-[(4R,5S)-2-oxo-4,5-diphenyl-1,3-oxazolidin-3-yl]spiro[2.2]pentan-2-yl]acetate.

Molecular Properties

Compound Namebenzyl (2R)-2-chloro-2-[(2R)-2-[(4R,5S)-2-oxo-4,5-diphenyl-1,3-oxazolidin-3-yl]spiro[2.2]pentan-2-yl]acetate
PubChem CID10767319
Molecular FormulaC29H26ClNO4
Molecular Weight487.98 g/mol
Exact Mass487.16
IUPAC Namebenzyl (2R)-2-chloro-2-[(2R)-2-[(4R,5S)-2-oxo-4,5-diphenyl-1,3-oxazolidin-3-yl]spiro[2.2]pentan-2-yl]acetate
SMILESO=C(OCc1ccccc1)[C@H](Cl)[C@@]1(N2C(=O)O[C@@H](c3ccccc3)[C@H]2c2ccccc2)CC12CC2
InChIInChI=1S/C29H26ClNO4/c30-25(26(32)34-18-20-10-4-1-5-11-20)29(19-28(29)16-17-28)31-23(21-12-6-2-7-13-21)24(35-27(31)33)22-14-8-3-9-15-22/h1-15,23-25H,16-19H2/t23-,24+,25+,29+/m1/s1
InChIKeyPGZWTBHLPWBDNA-SGDZTBBFSA-N
XLogP6.19
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500487.98
LogP ≤ 56.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

Analyze benzyl (2R)-2-chloro-2-[(2R)-2-[(4R,5S)-2-oxo-4,5-diphenyl-1,3-oxazolidin-3-yl]spiro[2.2]pentan-2-yl]acetate with MolForge

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Related Compounds

benzyl (2R)-3-naphthalen-1-yl-2-[(4S,5R)-2-oxo-4,5-diphenyl-1,3-oxazolidin-3-yl]propanoate
CID 10973421
ethyl (5R)-2-oxo-1-[(4S,5R)-2-oxo-4,5-diphenyl-1,3-oxazolidin-3-yl]bicyclo[3.1.0]hexane-6-carboxylate
CID 135034452
ethyl (2S,3R)-1-benzyl-4-oxo-2-phenylpyrrolidine-3-carboxylate
CID 101118480
benzyl (3S,5S,6R)-3-(dimethoxymethyl)-2-oxo-5,6-diphenylmorpholine-4-carboxylate
CID 11202040
benzyl (2R,3R)-3-amino-2-phenylpyrrolidine-1-carboxylate
CID 56926800
benzyl (2S,3R)-3-amino-2-phenylpyrrolidine-1-carboxylate
CID 59730574
(4R,5S)-3-[(1R,2R,3S)-3-(hydroxymethyl)-2-(phenylmethoxymethyl)cyclobutyl]-4,5-diphenyl-1,3-oxazolidin-2-one
CID 10813140
benzyl 3-amino-5-(hydroxymethyl)-2-phenylpiperidine-1-carboxylate
CID 54001762
benzyl (2S,3R)-3-(hydroxymethyl)-2-phenylpyrrolidine-1-carboxylate
CID 167736790
benzyl (2S)-2-[(4S,5R)-4-methyl-2-oxo-5-phenyl-1,3-oxazolidine-3-carbonyl]-6-azaspiro[2.5]octane-6-carboxylate
CID 129134942
(4R,5S)-5-(hydroxymethyl)-3-phenyl-4-(4-phenylmethoxyphenyl)-1,3-oxazolidin-2-one
CID 69124656
benzyl (2S,3R)-6-(2-ethoxy-2-oxoethyl)-2,3-diphenyl-2,3-dihydro-1,4-oxazine-4-carboxylate
CID 11442480

Frequently Asked Questions

What is the IUPAC name of benzyl (2R)-2-chloro-2-[(2R)-2-[(4R,5S)-2-oxo-4,5-diphenyl-1,3-oxazolidin-3-yl]spiro[2.2]pentan-2-yl]acetate?
The IUPAC name of benzyl (2R)-2-chloro-2-[(2R)-2-[(4R,5S)-2-oxo-4,5-diphenyl-1,3-oxazolidin-3-yl]spiro[2.2]pentan-2-yl]acetate (CID 10767319) is benzyl (2R)-2-chloro-2-[(2R)-2-[(4R,5S)-2-oxo-4,5-diphenyl-1,3-oxazolidin-3-yl]spiro[2.2]pentan-2-yl]acetate.
What is the SMILES notation for benzyl (2R)-2-chloro-2-[(2R)-2-[(4R,5S)-2-oxo-4,5-diphenyl-1,3-oxazolidin-3-yl]spiro[2.2]pentan-2-yl]acetate?
The canonical SMILES for benzyl (2R)-2-chloro-2-[(2R)-2-[(4R,5S)-2-oxo-4,5-diphenyl-1,3-oxazolidin-3-yl]spiro[2.2]pentan-2-yl]acetate is O=C(OCc1ccccc1)[C@H](Cl)[C@@]1(N2C(=O)O[C@@H](c3ccccc3)[C@H]2c2ccccc2)CC12CC2.
What is the InChIKey of benzyl (2R)-2-chloro-2-[(2R)-2-[(4R,5S)-2-oxo-4,5-diphenyl-1,3-oxazolidin-3-yl]spiro[2.2]pentan-2-yl]acetate?
The InChIKey is PGZWTBHLPWBDNA-SGDZTBBFSA-N. The full InChI is InChI=1S/C29H26ClNO4/c30-25(26(32)34-18-20-10-4-1-5-11-20)29(19-28(29)16-17-28)31-23(21-12-6-2-7-13-21)24(35-27(31)33)22-14-8-3-9-15-22/h1-15,23-25H,16-19H2/t23-,24+,25+,29+/m1/s1.
What are the key properties of benzyl (2R)-2-chloro-2-[(2R)-2-[(4R,5S)-2-oxo-4,5-diphenyl-1,3-oxazolidin-3-yl]spiro[2.2]pentan-2-yl]acetate?
benzyl (2R)-2-chloro-2-[(2R)-2-[(4R,5S)-2-oxo-4,5-diphenyl-1,3-oxazolidin-3-yl]spiro[2.2]pentan-2-yl]acetate has a molecular weight of 487.98 g/mol, XLogP of 6.19, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl (2R)-2-chloro-2-[(2R)-2-[(4R,5S)-2-oxo-4,5-diphenyl-1,3-oxazolidin-3-yl]spiro[2.2]pentan-2-yl]acetate is sourced from PubChem (CID 10767319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).