2-[(4S)-4,5,5-tris(4-fluorophenyl)-2-oxo-1,3-oxazolidin-3-yl]acetamide

C23H17F3N2O3 — CID 74221639

IUPAC2-[(4S)-4,5,5-tris(4-fluorophenyl)-2-oxo-1,3-oxazolidin-3-yl]acetamide
SMILESNC(=O)CN1C(=O)OC(c2ccc(F)cc2)(c2ccc(F)cc2)[C@@H]1c1ccc(F)cc1
InChIInChI=1S/C23H17F3N2O3/c24-17-7-1-14(2-8-17)21-23(15-3-9-18(25)10-4-15,16-5-11-19(26)12-6-16)31-22(30)28(21)13-20(27)29/h1-12,21H,13H2,(H2,27,29)/t21-/m0/s1
InChIKeyXWNOUAOTNUVPPW-NRFANRHFSA-N
MW426.39 g/mol
LogP4.03
Rot. Bonds5

About 2-[(4S)-4,5,5-tris(4-fluorophenyl)-2-oxo-1,3-oxazolidin-3-yl]acetamide

2-[(4S)-4,5,5-tris(4-fluorophenyl)-2-oxo-1,3-oxazolidin-3-yl]acetamide (PubChem CID 74221639) has the molecular formula C23H17F3N2O3 and a molecular weight of 426.39 g/mol. Its IUPAC name is 2-[(4S)-4,5,5-tris(4-fluorophenyl)-2-oxo-1,3-oxazolidin-3-yl]acetamide.

Molecular Properties

Compound Name2-[(4S)-4,5,5-tris(4-fluorophenyl)-2-oxo-1,3-oxazolidin-3-yl]acetamide
PubChem CID74221639
Molecular FormulaC23H17F3N2O3
Molecular Weight426.39 g/mol
Exact Mass426.12
IUPAC Name2-[(4S)-4,5,5-tris(4-fluorophenyl)-2-oxo-1,3-oxazolidin-3-yl]acetamide
SMILESNC(=O)CN1C(=O)OC(c2ccc(F)cc2)(c2ccc(F)cc2)[C@@H]1c1ccc(F)cc1
InChIInChI=1S/C23H17F3N2O3/c24-17-7-1-14(2-8-17)21-23(15-3-9-18(25)10-4-15,16-5-11-19(26)12-6-16)31-22(30)28(21)13-20(27)29/h1-12,21H,13H2,(H2,27,29)/t21-/m0/s1
InChIKeyXWNOUAOTNUVPPW-NRFANRHFSA-N
XLogP4.03
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.39
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Sha-68
CID 11374217
(R)-6-(2-aminoethyl)-3-((S)-1-(2',4'-difluorobiphenyl-4-yl)ethyl)-6-(4-fluorophenyl)-1,3-oxazinan-2-one
CID 53473235
N-(2-((R)-3-((S)-1-(2',4'-difluorobiphenyl-4-yl)ethyl)-6-(4-fluorophenyl)-2-oxo-1,3-oxazinan-6-yl)ethyl)acetamide
CID 53473320
US9611232, Example 19
CID 74221641
3-(1-Benzyl-piperidin-4-yl)-5,5-diphenyl-oxazolidin-2-one
CID 16124710
N-[(4-fluorophenyl)methyl]-N-methyl-3-oxo-1,1-diphenyl-5,6,8,8a-tetrahydro-[1,3]oxazolo[3,4-a]pyrazine-7-carboxamide
CID 44560982
US9611232, Example 13
CID 73774634
US9611232, Example 15
CID 74221637
US9611232, Example 17
CID 74221638
US9611232, Example 11
CID 74221642
(S)-2-(5,5-bis(4-fluorophenyl)-2-oxo-4-phenyloxazolidin-3-yl)acetamide
CID 90119590
CID 52951677
CID 52951677

Frequently Asked Questions

What is the IUPAC name of 2-[(4S)-4,5,5-tris(4-fluorophenyl)-2-oxo-1,3-oxazolidin-3-yl]acetamide?
The IUPAC name of 2-[(4S)-4,5,5-tris(4-fluorophenyl)-2-oxo-1,3-oxazolidin-3-yl]acetamide (CID 74221639) is 2-[(4S)-4,5,5-tris(4-fluorophenyl)-2-oxo-1,3-oxazolidin-3-yl]acetamide.
What is the SMILES notation for 2-[(4S)-4,5,5-tris(4-fluorophenyl)-2-oxo-1,3-oxazolidin-3-yl]acetamide?
The canonical SMILES for 2-[(4S)-4,5,5-tris(4-fluorophenyl)-2-oxo-1,3-oxazolidin-3-yl]acetamide is NC(=O)CN1C(=O)OC(c2ccc(F)cc2)(c2ccc(F)cc2)[C@@H]1c1ccc(F)cc1.
What is the InChIKey of 2-[(4S)-4,5,5-tris(4-fluorophenyl)-2-oxo-1,3-oxazolidin-3-yl]acetamide?
The InChIKey is XWNOUAOTNUVPPW-NRFANRHFSA-N. The full InChI is InChI=1S/C23H17F3N2O3/c24-17-7-1-14(2-8-17)21-23(15-3-9-18(25)10-4-15,16-5-11-19(26)12-6-16)31-22(30)28(21)13-20(27)29/h1-12,21H,13H2,(H2,27,29)/t21-/m0/s1.
What are the key properties of 2-[(4S)-4,5,5-tris(4-fluorophenyl)-2-oxo-1,3-oxazolidin-3-yl]acetamide?
2-[(4S)-4,5,5-tris(4-fluorophenyl)-2-oxo-1,3-oxazolidin-3-yl]acetamide has a molecular weight of 426.39 g/mol, XLogP of 4.03, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4S)-4,5,5-tris(4-fluorophenyl)-2-oxo-1,3-oxazolidin-3-yl]acetamide is sourced from PubChem (CID 74221639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).