ethyl 2-[(4S)-5,5-bis(2-fluorophenyl)-4-[(2-fluorophenyl)methyl]-2-oxo-1,3-oxazolidin-3-yl]acetate

C26H22F3NO4 — CID 126748529

IUPACethyl 2-[(4S)-5,5-bis(2-fluorophenyl)-4-[(2-fluorophenyl)methyl]-2-oxo-1,3-oxazolidin-3-yl]acetate
SMILESCCOC(=O)CN1C(=O)OC(c2ccccc2F)(c2ccccc2F)[C@@H]1Cc1ccccc1F
InChIInChI=1S/C26H22F3NO4/c1-2-33-24(31)16-30-23(15-17-9-3-6-12-20(17)27)26(34-25(30)32,18-10-4-7-13-21(18)28)19-11-5-8-14-22(19)29/h3-14,23H,2,15-16H2,1H3/t23-/m0/s1
InChIKeyCNZSCULKUDZJPE-QHCPKHFHSA-N
MW469.46 g/mol
LogP4.97
Rot. Bonds7

About ethyl 2-[(4S)-5,5-bis(2-fluorophenyl)-4-[(2-fluorophenyl)methyl]-2-oxo-1,3-oxazolidin-3-yl]acetate

ethyl 2-[(4S)-5,5-bis(2-fluorophenyl)-4-[(2-fluorophenyl)methyl]-2-oxo-1,3-oxazolidin-3-yl]acetate (PubChem CID 126748529) has the molecular formula C26H22F3NO4 and a molecular weight of 469.46 g/mol. Its IUPAC name is ethyl 2-[(4S)-5,5-bis(2-fluorophenyl)-4-[(2-fluorophenyl)methyl]-2-oxo-1,3-oxazolidin-3-yl]acetate.

Molecular Properties

Compound Nameethyl 2-[(4S)-5,5-bis(2-fluorophenyl)-4-[(2-fluorophenyl)methyl]-2-oxo-1,3-oxazolidin-3-yl]acetate
PubChem CID126748529
Molecular FormulaC26H22F3NO4
Molecular Weight469.46 g/mol
Exact Mass469.15
IUPAC Nameethyl 2-[(4S)-5,5-bis(2-fluorophenyl)-4-[(2-fluorophenyl)methyl]-2-oxo-1,3-oxazolidin-3-yl]acetate
SMILESCCOC(=O)CN1C(=O)OC(c2ccccc2F)(c2ccccc2F)[C@@H]1Cc1ccccc1F
InChIInChI=1S/C26H22F3NO4/c1-2-33-24(31)16-30-23(15-17-9-3-6-12-20(17)27)26(34-25(30)32,18-10-4-7-13-21(18)28)19-11-5-8-14-22(19)29/h3-14,23H,2,15-16H2,1H3/t23-/m0/s1
InChIKeyCNZSCULKUDZJPE-QHCPKHFHSA-N
XLogP4.97
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.46
LogP ≤ 54.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(4S)-5,5-bis(2-fluorophenyl)-4-[(2-fluorophenyl)methyl]-2-oxo-1,3-oxazolidin-3-yl]acetate?
The IUPAC name of ethyl 2-[(4S)-5,5-bis(2-fluorophenyl)-4-[(2-fluorophenyl)methyl]-2-oxo-1,3-oxazolidin-3-yl]acetate (CID 126748529) is ethyl 2-[(4S)-5,5-bis(2-fluorophenyl)-4-[(2-fluorophenyl)methyl]-2-oxo-1,3-oxazolidin-3-yl]acetate.
What is the SMILES notation for ethyl 2-[(4S)-5,5-bis(2-fluorophenyl)-4-[(2-fluorophenyl)methyl]-2-oxo-1,3-oxazolidin-3-yl]acetate?
The canonical SMILES for ethyl 2-[(4S)-5,5-bis(2-fluorophenyl)-4-[(2-fluorophenyl)methyl]-2-oxo-1,3-oxazolidin-3-yl]acetate is CCOC(=O)CN1C(=O)OC(c2ccccc2F)(c2ccccc2F)[C@@H]1Cc1ccccc1F.
What is the InChIKey of ethyl 2-[(4S)-5,5-bis(2-fluorophenyl)-4-[(2-fluorophenyl)methyl]-2-oxo-1,3-oxazolidin-3-yl]acetate?
The InChIKey is CNZSCULKUDZJPE-QHCPKHFHSA-N. The full InChI is InChI=1S/C26H22F3NO4/c1-2-33-24(31)16-30-23(15-17-9-3-6-12-20(17)27)26(34-25(30)32,18-10-4-7-13-21(18)28)19-11-5-8-14-22(19)29/h3-14,23H,2,15-16H2,1H3/t23-/m0/s1.
What are the key properties of ethyl 2-[(4S)-5,5-bis(2-fluorophenyl)-4-[(2-fluorophenyl)methyl]-2-oxo-1,3-oxazolidin-3-yl]acetate?
ethyl 2-[(4S)-5,5-bis(2-fluorophenyl)-4-[(2-fluorophenyl)methyl]-2-oxo-1,3-oxazolidin-3-yl]acetate has a molecular weight of 469.46 g/mol, XLogP of 4.97, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(4S)-5,5-bis(2-fluorophenyl)-4-[(2-fluorophenyl)methyl]-2-oxo-1,3-oxazolidin-3-yl]acetate is sourced from PubChem (CID 126748529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).