[(4R,5S)-3-(4-fluorophenyl)-2-oxo-4-(4-phenylmethoxyphenyl)-1,3-oxazolidin-5-yl]methyl N-(4-fluorophenyl)carbamate

C30H24F2N2O5 — CID 24994006

IUPAC[(4R,5S)-3-(4-fluorophenyl)-2-oxo-4-(4-phenylmethoxyphenyl)-1,3-oxazolidin-5-yl]methyl N-(4-fluorophenyl)carbamate
SMILESO=C(Nc1ccc(F)cc1)OC[C@H]1OC(=O)N(c2ccc(F)cc2)[C@@H]1c1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C30H24F2N2O5/c31-22-8-12-24(13-9-22)33-29(35)38-19-27-28(34(30(36)39-27)25-14-10-23(32)11-15-25)21-6-16-26(17-7-21)37-18-20-4-2-1-3-5-20/h1-17,27-28H,18-19H2,(H,33,35)/t27-,28-/m1/s1
InChIKeyIYVPNKYYWSHKND-VSGBNLITSA-N
MW530.53 g/mol
LogP6.86
Rot. Bonds8

About [(4R,5S)-3-(4-fluorophenyl)-2-oxo-4-(4-phenylmethoxyphenyl)-1,3-oxazolidin-5-yl]methyl N-(4-fluorophenyl)carbamate

[(4R,5S)-3-(4-fluorophenyl)-2-oxo-4-(4-phenylmethoxyphenyl)-1,3-oxazolidin-5-yl]methyl N-(4-fluorophenyl)carbamate (PubChem CID 24994006) has the molecular formula C30H24F2N2O5 and a molecular weight of 530.53 g/mol. Its IUPAC name is [(4R,5S)-3-(4-fluorophenyl)-2-oxo-4-(4-phenylmethoxyphenyl)-1,3-oxazolidin-5-yl]methyl N-(4-fluorophenyl)carbamate.

Molecular Properties

Compound Name[(4R,5S)-3-(4-fluorophenyl)-2-oxo-4-(4-phenylmethoxyphenyl)-1,3-oxazolidin-5-yl]methyl N-(4-fluorophenyl)carbamate
PubChem CID24994006
Molecular FormulaC30H24F2N2O5
Molecular Weight530.53 g/mol
Exact Mass530.17
IUPAC Name[(4R,5S)-3-(4-fluorophenyl)-2-oxo-4-(4-phenylmethoxyphenyl)-1,3-oxazolidin-5-yl]methyl N-(4-fluorophenyl)carbamate
SMILESO=C(Nc1ccc(F)cc1)OC[C@H]1OC(=O)N(c2ccc(F)cc2)[C@@H]1c1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C30H24F2N2O5/c31-22-8-12-24(13-9-22)33-29(35)38-19-27-28(34(30(36)39-27)25-14-10-23(32)11-15-25)21-6-16-26(17-7-21)37-18-20-4-2-1-3-5-20/h1-17,27-28H,18-19H2,(H,33,35)/t27-,28-/m1/s1
InChIKeyIYVPNKYYWSHKND-VSGBNLITSA-N
XLogP6.86
TPSA77.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500530.53
LogP ≤ 56.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [(4R,5S)-3-(4-fluorophenyl)-2-oxo-4-(4-phenylmethoxyphenyl)-1,3-oxazolidin-5-yl]methyl N-(4-fluorophenyl)carbamate?
The IUPAC name of [(4R,5S)-3-(4-fluorophenyl)-2-oxo-4-(4-phenylmethoxyphenyl)-1,3-oxazolidin-5-yl]methyl N-(4-fluorophenyl)carbamate (CID 24994006) is [(4R,5S)-3-(4-fluorophenyl)-2-oxo-4-(4-phenylmethoxyphenyl)-1,3-oxazolidin-5-yl]methyl N-(4-fluorophenyl)carbamate.
What is the SMILES notation for [(4R,5S)-3-(4-fluorophenyl)-2-oxo-4-(4-phenylmethoxyphenyl)-1,3-oxazolidin-5-yl]methyl N-(4-fluorophenyl)carbamate?
The canonical SMILES for [(4R,5S)-3-(4-fluorophenyl)-2-oxo-4-(4-phenylmethoxyphenyl)-1,3-oxazolidin-5-yl]methyl N-(4-fluorophenyl)carbamate is O=C(Nc1ccc(F)cc1)OC[C@H]1OC(=O)N(c2ccc(F)cc2)[C@@H]1c1ccc(OCc2ccccc2)cc1.
What is the InChIKey of [(4R,5S)-3-(4-fluorophenyl)-2-oxo-4-(4-phenylmethoxyphenyl)-1,3-oxazolidin-5-yl]methyl N-(4-fluorophenyl)carbamate?
The InChIKey is IYVPNKYYWSHKND-VSGBNLITSA-N. The full InChI is InChI=1S/C30H24F2N2O5/c31-22-8-12-24(13-9-22)33-29(35)38-19-27-28(34(30(36)39-27)25-14-10-23(32)11-15-25)21-6-16-26(17-7-21)37-18-20-4-2-1-3-5-20/h1-17,27-28H,18-19H2,(H,33,35)/t27-,28-/m1/s1.
What are the key properties of [(4R,5S)-3-(4-fluorophenyl)-2-oxo-4-(4-phenylmethoxyphenyl)-1,3-oxazolidin-5-yl]methyl N-(4-fluorophenyl)carbamate?
[(4R,5S)-3-(4-fluorophenyl)-2-oxo-4-(4-phenylmethoxyphenyl)-1,3-oxazolidin-5-yl]methyl N-(4-fluorophenyl)carbamate has a molecular weight of 530.53 g/mol, XLogP of 6.86, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(4R,5S)-3-(4-fluorophenyl)-2-oxo-4-(4-phenylmethoxyphenyl)-1,3-oxazolidin-5-yl]methyl N-(4-fluorophenyl)carbamate is sourced from PubChem (CID 24994006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).