ethyl (4S,5R)-3-(4-fluorophenyl)-2-oxo-4-(4-phenylmethoxyphenyl)-1,3-oxazolidine-5-carboxylate

C25H22FNO5 — CID 54672052

IUPACethyl (4S,5R)-3-(4-fluorophenyl)-2-oxo-4-(4-phenylmethoxyphenyl)-1,3-oxazolidine-5-carboxylate
SMILESCCOC(=O)[C@@H]1OC(=O)N(c2ccc(F)cc2)[C@H]1c1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C25H22FNO5/c1-2-30-24(28)23-22(27(25(29)32-23)20-12-10-19(26)11-13-20)18-8-14-21(15-9-18)31-16-17-6-4-3-5-7-17/h3-15,22-23H,2,16H2,1H3/t22-,23+/m0/s1
InChIKeyCPHPWBFQWRMLRR-XZOQPEGZSA-N
MW435.45 g/mol
LogP5.03
Rot. Bonds7

About ethyl (4S,5R)-3-(4-fluorophenyl)-2-oxo-4-(4-phenylmethoxyphenyl)-1,3-oxazolidine-5-carboxylate

ethyl (4S,5R)-3-(4-fluorophenyl)-2-oxo-4-(4-phenylmethoxyphenyl)-1,3-oxazolidine-5-carboxylate (PubChem CID 54672052) has the molecular formula C25H22FNO5 and a molecular weight of 435.45 g/mol. Its IUPAC name is ethyl (4S,5R)-3-(4-fluorophenyl)-2-oxo-4-(4-phenylmethoxyphenyl)-1,3-oxazolidine-5-carboxylate.

Molecular Properties

Compound Nameethyl (4S,5R)-3-(4-fluorophenyl)-2-oxo-4-(4-phenylmethoxyphenyl)-1,3-oxazolidine-5-carboxylate
PubChem CID54672052
Molecular FormulaC25H22FNO5
Molecular Weight435.45 g/mol
Exact Mass435.15
IUPAC Nameethyl (4S,5R)-3-(4-fluorophenyl)-2-oxo-4-(4-phenylmethoxyphenyl)-1,3-oxazolidine-5-carboxylate
SMILESCCOC(=O)[C@@H]1OC(=O)N(c2ccc(F)cc2)[C@H]1c1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C25H22FNO5/c1-2-30-24(28)23-22(27(25(29)32-23)20-12-10-19(26)11-13-20)18-8-14-21(15-9-18)31-16-17-6-4-3-5-7-17/h3-15,22-23H,2,16H2,1H3/t22-,23+/m0/s1
InChIKeyCPHPWBFQWRMLRR-XZOQPEGZSA-N
XLogP5.03
TPSA65.07 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500435.45
LogP ≤ 55.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze ethyl (4S,5R)-3-(4-fluorophenyl)-2-oxo-4-(4-phenylmethoxyphenyl)-1,3-oxazolidine-5-carboxylate with MolForge

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Related Compounds

methyl 4-(4-butoxyphenyl)-3-(4-fluorophenyl)-2-oxo-1,3-oxazolidine-5-carboxylate
CID 70951984
(4R,5R)-3-(4-fluorophenyl)-5-[3-(4-fluorophenyl)-3-oxopropyl]-4-(4-phenylmethoxyphenyl)-1,3-oxazolidin-2-one
CID 11555334
ethyl 3-(4-phenylmethoxyphenyl)oxirane-2-carboxylate
CID 11277925
ethyl (4S,5S)-3-[4-(4-chlorophenoxy)phenyl]-4-(3-fluorophenyl)-2-oxo-1,3-oxazolidine-5-carboxylate
CID 59486050
(4R,5S)-N-benzyl-3-(4-fluorophenyl)-4-(4-hydroxyphenyl)-2-oxo-1,3-oxazolidine-5-carboxamide
CID 69188987
(4R,5S)-5-(hydroxymethyl)-3-phenyl-4-(4-phenylmethoxyphenyl)-1,3-oxazolidin-2-one
CID 69124656
(4R,5S)-3-[4-(dimethylamino)phenyl]-5-(hydroxymethyl)-4-(4-phenylmethoxyphenyl)-1,3-oxazolidin-2-one
CID 91012413
3-O-tert-butyl 5-O-ethyl (4S,5R)-2,2-dimethyl-4-(4-phenylmethoxyphenyl)-1,3-oxazolidine-3,5-dicarboxylate
CID 11102496
(4S)-1-(4-fluorophenyl)-4-(4-phenylmethoxyphenyl)azetidin-2-one
CID 10882566
(3R,4S)-1-(4-fluorophenyl)-4-(4-phenylmethoxyphenyl)-3-prop-2-enylazetidin-2-one
CID 139413530
(5S)-5-[(4-fluorophenoxy)methyl]-3-(4-fluorophenyl)-4-(4-hydroxyphenyl)-1,3-oxazolidin-2-one
CID 71069170
(3R,4S)-1-(4-fluorophenyl)-3-[3-hydroxy-3-(4-methylphenyl)propyl]-4-(4-phenylmethoxyphenyl)azetidin-2-one
CID 122227822

Frequently Asked Questions

What is the IUPAC name of ethyl (4S,5R)-3-(4-fluorophenyl)-2-oxo-4-(4-phenylmethoxyphenyl)-1,3-oxazolidine-5-carboxylate?
The IUPAC name of ethyl (4S,5R)-3-(4-fluorophenyl)-2-oxo-4-(4-phenylmethoxyphenyl)-1,3-oxazolidine-5-carboxylate (CID 54672052) is ethyl (4S,5R)-3-(4-fluorophenyl)-2-oxo-4-(4-phenylmethoxyphenyl)-1,3-oxazolidine-5-carboxylate.
What is the SMILES notation for ethyl (4S,5R)-3-(4-fluorophenyl)-2-oxo-4-(4-phenylmethoxyphenyl)-1,3-oxazolidine-5-carboxylate?
The canonical SMILES for ethyl (4S,5R)-3-(4-fluorophenyl)-2-oxo-4-(4-phenylmethoxyphenyl)-1,3-oxazolidine-5-carboxylate is CCOC(=O)[C@@H]1OC(=O)N(c2ccc(F)cc2)[C@H]1c1ccc(OCc2ccccc2)cc1.
What is the InChIKey of ethyl (4S,5R)-3-(4-fluorophenyl)-2-oxo-4-(4-phenylmethoxyphenyl)-1,3-oxazolidine-5-carboxylate?
The InChIKey is CPHPWBFQWRMLRR-XZOQPEGZSA-N. The full InChI is InChI=1S/C25H22FNO5/c1-2-30-24(28)23-22(27(25(29)32-23)20-12-10-19(26)11-13-20)18-8-14-21(15-9-18)31-16-17-6-4-3-5-7-17/h3-15,22-23H,2,16H2,1H3/t22-,23+/m0/s1.
What are the key properties of ethyl (4S,5R)-3-(4-fluorophenyl)-2-oxo-4-(4-phenylmethoxyphenyl)-1,3-oxazolidine-5-carboxylate?
ethyl (4S,5R)-3-(4-fluorophenyl)-2-oxo-4-(4-phenylmethoxyphenyl)-1,3-oxazolidine-5-carboxylate has a molecular weight of 435.45 g/mol, XLogP of 5.03, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (4S,5R)-3-(4-fluorophenyl)-2-oxo-4-(4-phenylmethoxyphenyl)-1,3-oxazolidine-5-carboxylate is sourced from PubChem (CID 54672052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).