4-[(4-tert-butylphenyl)methyl]-5-(4-fluorophenyl)-1,3-oxazolidin-2-one

C20H22FNO2 — CID 22261568

IUPAC4-[(4-tert-butylphenyl)methyl]-5-(4-fluorophenyl)-1,3-oxazolidin-2-one
SMILESCC(C)(C)c1ccc(CC2NC(=O)OC2c2ccc(F)cc2)cc1
InChIInChI=1S/C20H22FNO2/c1-20(2,3)15-8-4-13(5-9-15)12-17-18(24-19(23)22-17)14-6-10-16(21)11-7-14/h4-11,17-18H,12H2,1-3H3,(H,22,23)
InChIKeyOEMQZQKBJOMAHI-UHFFFAOYSA-N
MW327.40 g/mol
LogP4.52
Rot. Bonds3

About 4-[(4-tert-butylphenyl)methyl]-5-(4-fluorophenyl)-1,3-oxazolidin-2-one

4-[(4-tert-butylphenyl)methyl]-5-(4-fluorophenyl)-1,3-oxazolidin-2-one (PubChem CID 22261568) has the molecular formula C20H22FNO2 and a molecular weight of 327.40 g/mol. Its IUPAC name is 4-[(4-tert-butylphenyl)methyl]-5-(4-fluorophenyl)-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name4-[(4-tert-butylphenyl)methyl]-5-(4-fluorophenyl)-1,3-oxazolidin-2-one
PubChem CID22261568
Molecular FormulaC20H22FNO2
Molecular Weight327.40 g/mol
Exact Mass327.16
IUPAC Name4-[(4-tert-butylphenyl)methyl]-5-(4-fluorophenyl)-1,3-oxazolidin-2-one
SMILESCC(C)(C)c1ccc(CC2NC(=O)OC2c2ccc(F)cc2)cc1
InChIInChI=1S/C20H22FNO2/c1-20(2,3)15-8-4-13(5-9-15)12-17-18(24-19(23)22-17)14-6-10-16(21)11-7-14/h4-11,17-18H,12H2,1-3H3,(H,22,23)
InChIKeyOEMQZQKBJOMAHI-UHFFFAOYSA-N
XLogP4.52
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.40
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-Phenyl-1,3-oxazolidin-2-one
CID 202193
(4R,5R)-5-(3-fluorophenyl)-4-[3-(2-phenylethynyl)phenyl]-1,3-oxazolidin-2-one
CID 69083336
(2S,3S)-1,2-Epoxy-3-(Cbz-amino)-4-phenylbutane
CID 9861019
4-Methyl-5-phenyl-2-oxazolidinone, (4S,5R)-
CID 853161
(4S,5R)-(-)-cis-4,5-Diphenyl-2-oxazolidinone
CID 9859564
(5S)-5-phenyl-1,3-oxazolidin-2-one
CID 10855806
(4R,5S)-(+)-cis-4,5-Diphenyl-2-oxazolidinone
CID 10868374
4-Methyl-5-phenyl-1,3-oxazolidin-2-one
CID 250174
5,5-Diphenyl-1,3-oxazolidin-2-one
CID 349675
(4-phenylphenyl)methyl N-cyclohexylcarbamate
CID 22978794
benzyl N-[(2S)-1-ethenoxy-3-phenylpropan-2-yl]carbamate
CID 90679319
(4R,5S)-(+)-4-Methyl-5-phenyl-2-oxazolidinone
CID 2733812

Frequently Asked Questions

What is the IUPAC name of 4-[(4-tert-butylphenyl)methyl]-5-(4-fluorophenyl)-1,3-oxazolidin-2-one?
The IUPAC name of 4-[(4-tert-butylphenyl)methyl]-5-(4-fluorophenyl)-1,3-oxazolidin-2-one (CID 22261568) is 4-[(4-tert-butylphenyl)methyl]-5-(4-fluorophenyl)-1,3-oxazolidin-2-one.
What is the SMILES notation for 4-[(4-tert-butylphenyl)methyl]-5-(4-fluorophenyl)-1,3-oxazolidin-2-one?
The canonical SMILES for 4-[(4-tert-butylphenyl)methyl]-5-(4-fluorophenyl)-1,3-oxazolidin-2-one is CC(C)(C)c1ccc(CC2NC(=O)OC2c2ccc(F)cc2)cc1.
What is the InChIKey of 4-[(4-tert-butylphenyl)methyl]-5-(4-fluorophenyl)-1,3-oxazolidin-2-one?
The InChIKey is OEMQZQKBJOMAHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22FNO2/c1-20(2,3)15-8-4-13(5-9-15)12-17-18(24-19(23)22-17)14-6-10-16(21)11-7-14/h4-11,17-18H,12H2,1-3H3,(H,22,23).
What are the key properties of 4-[(4-tert-butylphenyl)methyl]-5-(4-fluorophenyl)-1,3-oxazolidin-2-one?
4-[(4-tert-butylphenyl)methyl]-5-(4-fluorophenyl)-1,3-oxazolidin-2-one has a molecular weight of 327.40 g/mol, XLogP of 4.52, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-tert-butylphenyl)methyl]-5-(4-fluorophenyl)-1,3-oxazolidin-2-one is sourced from PubChem (CID 22261568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).