(4S)-4-(2-fluorophenyl)-5,5-bis(4-fluorophenyl)-3-(1H-1,2,4-triazol-5-ylmethyl)-1,3-oxazolidin-2-one

C24H17F3N4O2 — CID 90120182

IUPAC(4S)-4-(2-fluorophenyl)-5,5-bis(4-fluorophenyl)-3-(1H-1,2,4-triazol-5-ylmethyl)-1,3-oxazolidin-2-one
SMILESO=C1OC(c2ccc(F)cc2)(c2ccc(F)cc2)[C@H](c2ccccc2F)N1Cc1ncn[nH]1
InChIInChI=1S/C24H17F3N4O2/c25-17-9-5-15(6-10-17)24(16-7-11-18(26)12-8-16)22(19-3-1-2-4-20(19)27)31(23(32)33-24)13-21-28-14-29-30-21/h1-12,14,22H,13H2,(H,28,29,30)/t22-/m0/s1
InChIKeyFEWYWSBFNLGBBL-QFIPXVFZSA-N
MW450.42 g/mol
LogP4.86
Rot. Bonds5

About (4S)-4-(2-fluorophenyl)-5,5-bis(4-fluorophenyl)-3-(1H-1,2,4-triazol-5-ylmethyl)-1,3-oxazolidin-2-one

(4S)-4-(2-fluorophenyl)-5,5-bis(4-fluorophenyl)-3-(1H-1,2,4-triazol-5-ylmethyl)-1,3-oxazolidin-2-one (PubChem CID 90120182) has the molecular formula C24H17F3N4O2 and a molecular weight of 450.42 g/mol. Its IUPAC name is (4S)-4-(2-fluorophenyl)-5,5-bis(4-fluorophenyl)-3-(1H-1,2,4-triazol-5-ylmethyl)-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4S)-4-(2-fluorophenyl)-5,5-bis(4-fluorophenyl)-3-(1H-1,2,4-triazol-5-ylmethyl)-1,3-oxazolidin-2-one
PubChem CID90120182
Molecular FormulaC24H17F3N4O2
Molecular Weight450.42 g/mol
Exact Mass450.13
IUPAC Name(4S)-4-(2-fluorophenyl)-5,5-bis(4-fluorophenyl)-3-(1H-1,2,4-triazol-5-ylmethyl)-1,3-oxazolidin-2-one
SMILESO=C1OC(c2ccc(F)cc2)(c2ccc(F)cc2)[C@H](c2ccccc2F)N1Cc1ncn[nH]1
InChIInChI=1S/C24H17F3N4O2/c25-17-9-5-15(6-10-17)24(16-7-11-18(26)12-8-16)22(19-3-1-2-4-20(19)27)31(23(32)33-24)13-21-28-14-29-30-21/h1-12,14,22H,13H2,(H,28,29,30)/t22-/m0/s1
InChIKeyFEWYWSBFNLGBBL-QFIPXVFZSA-N
XLogP4.86
TPSA71.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.42
LogP ≤ 54.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (4S)-4-(2-fluorophenyl)-5,5-bis(4-fluorophenyl)-3-(1H-1,2,4-triazol-5-ylmethyl)-1,3-oxazolidin-2-one?
The IUPAC name of (4S)-4-(2-fluorophenyl)-5,5-bis(4-fluorophenyl)-3-(1H-1,2,4-triazol-5-ylmethyl)-1,3-oxazolidin-2-one (CID 90120182) is (4S)-4-(2-fluorophenyl)-5,5-bis(4-fluorophenyl)-3-(1H-1,2,4-triazol-5-ylmethyl)-1,3-oxazolidin-2-one.
What is the SMILES notation for (4S)-4-(2-fluorophenyl)-5,5-bis(4-fluorophenyl)-3-(1H-1,2,4-triazol-5-ylmethyl)-1,3-oxazolidin-2-one?
The canonical SMILES for (4S)-4-(2-fluorophenyl)-5,5-bis(4-fluorophenyl)-3-(1H-1,2,4-triazol-5-ylmethyl)-1,3-oxazolidin-2-one is O=C1OC(c2ccc(F)cc2)(c2ccc(F)cc2)[C@H](c2ccccc2F)N1Cc1ncn[nH]1.
What is the InChIKey of (4S)-4-(2-fluorophenyl)-5,5-bis(4-fluorophenyl)-3-(1H-1,2,4-triazol-5-ylmethyl)-1,3-oxazolidin-2-one?
The InChIKey is FEWYWSBFNLGBBL-QFIPXVFZSA-N. The full InChI is InChI=1S/C24H17F3N4O2/c25-17-9-5-15(6-10-17)24(16-7-11-18(26)12-8-16)22(19-3-1-2-4-20(19)27)31(23(32)33-24)13-21-28-14-29-30-21/h1-12,14,22H,13H2,(H,28,29,30)/t22-/m0/s1.
What are the key properties of (4S)-4-(2-fluorophenyl)-5,5-bis(4-fluorophenyl)-3-(1H-1,2,4-triazol-5-ylmethyl)-1,3-oxazolidin-2-one?
(4S)-4-(2-fluorophenyl)-5,5-bis(4-fluorophenyl)-3-(1H-1,2,4-triazol-5-ylmethyl)-1,3-oxazolidin-2-one has a molecular weight of 450.42 g/mol, XLogP of 4.86, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-(2-fluorophenyl)-5,5-bis(4-fluorophenyl)-3-(1H-1,2,4-triazol-5-ylmethyl)-1,3-oxazolidin-2-one is sourced from PubChem (CID 90120182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).