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

C24H17F3N4O2 — CID 90120187

IUPAC4-(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(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)
InChIKeyFEWYWSBFNLGBBL-UHFFFAOYSA-N
MW450.42 g/mol
LogP4.86
Rot. Bonds5

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

4-(2-fluorophenyl)-5,5-bis(4-fluorophenyl)-3-(1H-1,2,4-triazol-5-ylmethyl)-1,3-oxazolidin-2-one (PubChem CID 90120187) has the molecular formula C24H17F3N4O2 and a molecular weight of 450.42 g/mol. Its IUPAC name is 4-(2-fluorophenyl)-5,5-bis(4-fluorophenyl)-3-(1H-1,2,4-triazol-5-ylmethyl)-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name4-(2-fluorophenyl)-5,5-bis(4-fluorophenyl)-3-(1H-1,2,4-triazol-5-ylmethyl)-1,3-oxazolidin-2-one
PubChem CID90120187
Molecular FormulaC24H17F3N4O2
Molecular Weight450.42 g/mol
Exact Mass450.13
IUPAC Name4-(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(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)
InChIKeyFEWYWSBFNLGBBL-UHFFFAOYSA-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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Related Compounds

3-(3,5-Bis-trifluoromethyl-benzyloxy)-2-phenyl-1-(1H-[1,2,4]triazol-3-ylmethyl)-piperidine
CID 10480465
[(S)-2-(3,5-Bis-trifluoromethyl-benzyloxy)-1-phenyl-ethyl]-methyl-(4H-[1,2,4]triazol-3-ylmethyl)-amine
CID 44368171
3-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-2-phenyl-1-(1H-1,2,4-triazol-5-ylmethyl)piperidine
CID 18984620
(5S,6S)-6-[[3,5-bis(trifluoromethyl)phenyl]methoxymethyl]-5-phenyl-4-(1H-1,2,4-triazol-5-ylmethyl)piperazin-2-one
CID 10289285
3-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-N-methyl-1,1-diphenyl-N-(1H-1,2,4-triazol-5-ylmethyl)propan-2-amine
CID 18986182
(2R,3R)-3-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-2-phenyl-1-(1H-1,2,4-triazol-5-ylmethyl)piperidine
CID 53878278
(2R,3S)-2-[(1R)-1-(3,5-difluorophenyl)ethoxy]-3-(4-fluorophenyl)-4-(1H-1,2,4-triazol-5-ylmethyl)morpholine
CID 54296320
(1R,2R,5R)-2-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-1-(4-fluorophenyl)-8-(1H-1,2,4-triazol-5-ylmethyl)-8-azabicyclo[3.2.1]octane
CID 88040355
1-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-N-methyl-1,1-diphenyl-N-(1H-1,2,4-triazol-5-ylmethyl)propan-2-amine
CID 88486195
(S)-3-((4H-1,2,4-triazol-3-yl)methyl)-4-(2-fluorophenyl)-5,5-bis(4-fluorophenyl)oxazolidin-2-one
CID 90120182
(3S)-3-[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]-3-(4-fluorophenyl)-4-(1H-1,2,4-triazol-5-ylmethyl)morpholine
CID 139755538
(2S,3S)-3-[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]-2-(4-fluorophenyl)-1-(1H-1,2,4-triazol-5-ylmethyl)piperidine
CID 141578889

Frequently Asked Questions

What is the IUPAC name of 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 4-(2-fluorophenyl)-5,5-bis(4-fluorophenyl)-3-(1H-1,2,4-triazol-5-ylmethyl)-1,3-oxazolidin-2-one (CID 90120187) is 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 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 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(c2ccccc2F)N1Cc1ncn[nH]1.
What is the InChIKey of 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-UHFFFAOYSA-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).
What are the key properties of 4-(2-fluorophenyl)-5,5-bis(4-fluorophenyl)-3-(1H-1,2,4-triazol-5-ylmethyl)-1,3-oxazolidin-2-one?
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 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 90120187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).