methyl (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

C23H22ClNO4 — CID 10764134

IUPACmethyl (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
SMILESCOC(=O)[C@H](Cl)[C@@]1(N2C(=O)O[C@@H](c3ccccc3)[C@H]2c2ccccc2)CC12CC2
InChIInChI=1S/C23H22ClNO4/c1-28-20(26)19(24)23(14-22(23)12-13-22)25-17(15-8-4-2-5-9-15)18(29-21(25)27)16-10-6-3-7-11-16/h2-11,17-19H,12-14H2,1H3/t17-,18+,19+,23+/m1/s1
InChIKeyQNHHMVZOJJBFDU-XQQXVUDOSA-N
MW411.89 g/mol
LogP4.62
Rot. Bonds5

About methyl (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

methyl (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 10764134) has the molecular formula C23H22ClNO4 and a molecular weight of 411.89 g/mol. Its IUPAC name is methyl (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 Namemethyl (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 CID10764134
Molecular FormulaC23H22ClNO4
Molecular Weight411.89 g/mol
Exact Mass411.12
IUPAC Namemethyl (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
SMILESCOC(=O)[C@H](Cl)[C@@]1(N2C(=O)O[C@@H](c3ccccc3)[C@H]2c2ccccc2)CC12CC2
InChIInChI=1S/C23H22ClNO4/c1-28-20(26)19(24)23(14-22(23)12-13-22)25-17(15-8-4-2-5-9-15)18(29-21(25)27)16-10-6-3-7-11-16/h2-11,17-19H,12-14H2,1H3/t17-,18+,19+,23+/m1/s1
InChIKeyQNHHMVZOJJBFDU-XQQXVUDOSA-N
XLogP4.62
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.89
LogP ≤ 54.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze methyl (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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Frequently Asked Questions

What is the IUPAC name of methyl (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 methyl (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 10764134) is methyl (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 methyl (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 methyl (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 COC(=O)[C@H](Cl)[C@@]1(N2C(=O)O[C@@H](c3ccccc3)[C@H]2c2ccccc2)CC12CC2.
What is the InChIKey of methyl (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 QNHHMVZOJJBFDU-XQQXVUDOSA-N. The full InChI is InChI=1S/C23H22ClNO4/c1-28-20(26)19(24)23(14-22(23)12-13-22)25-17(15-8-4-2-5-9-15)18(29-21(25)27)16-10-6-3-7-11-16/h2-11,17-19H,12-14H2,1H3/t17-,18+,19+,23+/m1/s1.
What are the key properties of methyl (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?
methyl (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 411.89 g/mol, XLogP of 4.62, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (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 10764134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).