2-[2-[3-(4-fluorophenyl)-4-(4-hydroxyphenyl)-2-oxo-1,3-oxazolidin-5-yl]-2-hydroxyethoxy]benzonitrile

C24H19FN2O5 — CID 69170307

IUPAC2-[2-[3-(4-fluorophenyl)-4-(4-hydroxyphenyl)-2-oxo-1,3-oxazolidin-5-yl]-2-hydroxyethoxy]benzonitrile
SMILESN#Cc1ccccc1OCC(O)C1OC(=O)N(c2ccc(F)cc2)C1c1ccc(O)cc1
InChIInChI=1S/C24H19FN2O5/c25-17-7-9-18(10-8-17)27-22(15-5-11-19(28)12-6-15)23(32-24(27)30)20(29)14-31-21-4-2-1-3-16(21)13-26/h1-12,20,22-23,28-29H,14H2
InChIKeyDYEZABDDSYEDON-UHFFFAOYSA-N
MW434.42 g/mol
LogP3.91
Rot. Bonds6

About 2-[2-[3-(4-fluorophenyl)-4-(4-hydroxyphenyl)-2-oxo-1,3-oxazolidin-5-yl]-2-hydroxyethoxy]benzonitrile

2-[2-[3-(4-fluorophenyl)-4-(4-hydroxyphenyl)-2-oxo-1,3-oxazolidin-5-yl]-2-hydroxyethoxy]benzonitrile (PubChem CID 69170307) has the molecular formula C24H19FN2O5 and a molecular weight of 434.42 g/mol. Its IUPAC name is 2-[2-[3-(4-fluorophenyl)-4-(4-hydroxyphenyl)-2-oxo-1,3-oxazolidin-5-yl]-2-hydroxyethoxy]benzonitrile.

Molecular Properties

Compound Name2-[2-[3-(4-fluorophenyl)-4-(4-hydroxyphenyl)-2-oxo-1,3-oxazolidin-5-yl]-2-hydroxyethoxy]benzonitrile
PubChem CID69170307
Molecular FormulaC24H19FN2O5
Molecular Weight434.42 g/mol
Exact Mass434.13
IUPAC Name2-[2-[3-(4-fluorophenyl)-4-(4-hydroxyphenyl)-2-oxo-1,3-oxazolidin-5-yl]-2-hydroxyethoxy]benzonitrile
SMILESN#Cc1ccccc1OCC(O)C1OC(=O)N(c2ccc(F)cc2)C1c1ccc(O)cc1
InChIInChI=1S/C24H19FN2O5/c25-17-7-9-18(10-8-17)27-22(15-5-11-19(28)12-6-15)23(32-24(27)30)20(29)14-31-21-4-2-1-3-16(21)13-26/h1-12,20,22-23,28-29H,14H2
InChIKeyDYEZABDDSYEDON-UHFFFAOYSA-N
XLogP3.91
TPSA103.02 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.42
LogP ≤ 53.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

5-[2-(4-chlorophenoxy)-1-hydroxyethyl]-3-(4-fluorophenyl)-4-(4-hydroxyphenyl)-1,3-oxazolidin-2-one
CID 69171990
(4R,5S)-4-[(1R)-2-(4-fluorophenoxy)-1-hydroxyethyl]-3-(4-fluorophenyl)-5-(4-hydroxyphenyl)-1,3-oxazolidin-2-one
CID 69171046
(5S)-5-[(4-fluorophenoxy)methyl]-3-(4-fluorophenyl)-4-(4-hydroxyphenyl)-1,3-oxazolidin-2-one
CID 71069170
(4R)-4-(4-hydroxyphenyl)-5-[(1S)-1-hydroxy-3-phenylpropyl]-3-[4-(trifluoromethyl)phenyl]-1,3-oxazolidin-2-one
CID 25064168
(4R,5R)-3-(4-fluorophenyl)-5-[(3S)-3-(4-fluorophenyl)-3-hydroxypropyl]-4-(4-hydroxyphenyl)-1,3-oxazolidin-2-one
CID 11304826
4-[(4R,5S)-5-(hydroxymethyl)-4-(4-hydroxyphenyl)-2-oxo-1,3-oxazolidin-3-yl]benzonitrile
CID 69124709
5-(1-hydroxy-3-phenylpropyl)-3,4-bis(4-methoxyphenyl)-1,3-oxazolidin-2-one
CID 69170299
(4R,5R)-3-(4-fluorophenyl)-4-(4-hydroxyphenyl)-5-[(4-phenyltriazol-1-yl)methyl]-1,3-oxazolidin-2-one
CID 24994309
(4R,5R)-3-(4-fluorophenyl)-5-[3-(4-fluorophenyl)-3-oxopropyl]-4-(4-phenylmethoxyphenyl)-1,3-oxazolidin-2-one
CID 11555334
1-(4-fluorophenyl)-4-(4-hydroxyphenyl)-3-(3-hydroxy-3-phenylpropyl)azetidin-2-one
CID 69439202
2-(2-bromo-3,3,3-trifluoropropoxy)benzonitrile
CID 64758929
2-[2-hydroxy-3-(5-oxo-1,4-diazepan-1-yl)propoxy]benzonitrile
CID 63003932

Frequently Asked Questions

What is the IUPAC name of 2-[2-[3-(4-fluorophenyl)-4-(4-hydroxyphenyl)-2-oxo-1,3-oxazolidin-5-yl]-2-hydroxyethoxy]benzonitrile?
The IUPAC name of 2-[2-[3-(4-fluorophenyl)-4-(4-hydroxyphenyl)-2-oxo-1,3-oxazolidin-5-yl]-2-hydroxyethoxy]benzonitrile (CID 69170307) is 2-[2-[3-(4-fluorophenyl)-4-(4-hydroxyphenyl)-2-oxo-1,3-oxazolidin-5-yl]-2-hydroxyethoxy]benzonitrile.
What is the SMILES notation for 2-[2-[3-(4-fluorophenyl)-4-(4-hydroxyphenyl)-2-oxo-1,3-oxazolidin-5-yl]-2-hydroxyethoxy]benzonitrile?
The canonical SMILES for 2-[2-[3-(4-fluorophenyl)-4-(4-hydroxyphenyl)-2-oxo-1,3-oxazolidin-5-yl]-2-hydroxyethoxy]benzonitrile is N#Cc1ccccc1OCC(O)C1OC(=O)N(c2ccc(F)cc2)C1c1ccc(O)cc1.
What is the InChIKey of 2-[2-[3-(4-fluorophenyl)-4-(4-hydroxyphenyl)-2-oxo-1,3-oxazolidin-5-yl]-2-hydroxyethoxy]benzonitrile?
The InChIKey is DYEZABDDSYEDON-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19FN2O5/c25-17-7-9-18(10-8-17)27-22(15-5-11-19(28)12-6-15)23(32-24(27)30)20(29)14-31-21-4-2-1-3-16(21)13-26/h1-12,20,22-23,28-29H,14H2.
What are the key properties of 2-[2-[3-(4-fluorophenyl)-4-(4-hydroxyphenyl)-2-oxo-1,3-oxazolidin-5-yl]-2-hydroxyethoxy]benzonitrile?
2-[2-[3-(4-fluorophenyl)-4-(4-hydroxyphenyl)-2-oxo-1,3-oxazolidin-5-yl]-2-hydroxyethoxy]benzonitrile has a molecular weight of 434.42 g/mol, XLogP of 3.91, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[3-(4-fluorophenyl)-4-(4-hydroxyphenyl)-2-oxo-1,3-oxazolidin-5-yl]-2-hydroxyethoxy]benzonitrile is sourced from PubChem (CID 69170307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).