5-(4-fluorophenyl)-4-[[3-[(2-methylpropan-2-yl)oxy]phenyl]methyl]-1,3-oxazolidin-2-one

C20H22FNO3 — CID 22261968

IUPAC5-(4-fluorophenyl)-4-[[3-[(2-methylpropan-2-yl)oxy]phenyl]methyl]-1,3-oxazolidin-2-one
SMILESCC(C)(C)Oc1cccc(CC2NC(=O)OC2c2ccc(F)cc2)c1
InChIInChI=1S/C20H22FNO3/c1-20(2,3)25-16-6-4-5-13(11-16)12-17-18(24-19(23)22-17)14-7-9-15(21)10-8-14/h4-11,17-18H,12H2,1-3H3,(H,22,23)
InChIKeyFKCIPTKMKWXIQI-UHFFFAOYSA-N
MW343.40 g/mol
LogP4.40
Rot. Bonds4

About 5-(4-fluorophenyl)-4-[[3-[(2-methylpropan-2-yl)oxy]phenyl]methyl]-1,3-oxazolidin-2-one

5-(4-fluorophenyl)-4-[[3-[(2-methylpropan-2-yl)oxy]phenyl]methyl]-1,3-oxazolidin-2-one (PubChem CID 22261968) has the molecular formula C20H22FNO3 and a molecular weight of 343.40 g/mol. Its IUPAC name is 5-(4-fluorophenyl)-4-[[3-[(2-methylpropan-2-yl)oxy]phenyl]methyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name5-(4-fluorophenyl)-4-[[3-[(2-methylpropan-2-yl)oxy]phenyl]methyl]-1,3-oxazolidin-2-one
PubChem CID22261968
Molecular FormulaC20H22FNO3
Molecular Weight343.40 g/mol
Exact Mass343.16
IUPAC Name5-(4-fluorophenyl)-4-[[3-[(2-methylpropan-2-yl)oxy]phenyl]methyl]-1,3-oxazolidin-2-one
SMILESCC(C)(C)Oc1cccc(CC2NC(=O)OC2c2ccc(F)cc2)c1
InChIInChI=1S/C20H22FNO3/c1-20(2,3)25-16-6-4-5-13(11-16)12-17-18(24-19(23)22-17)14-7-9-15(21)10-8-14/h4-11,17-18H,12H2,1-3H3,(H,22,23)
InChIKeyFKCIPTKMKWXIQI-UHFFFAOYSA-N
XLogP4.40
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.40
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(4-fluorophenyl)-4-[[3-[(2-methylpropan-2-yl)oxy]phenyl]methyl]-1,3-oxazolidin-2-one?
The IUPAC name of 5-(4-fluorophenyl)-4-[[3-[(2-methylpropan-2-yl)oxy]phenyl]methyl]-1,3-oxazolidin-2-one (CID 22261968) is 5-(4-fluorophenyl)-4-[[3-[(2-methylpropan-2-yl)oxy]phenyl]methyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for 5-(4-fluorophenyl)-4-[[3-[(2-methylpropan-2-yl)oxy]phenyl]methyl]-1,3-oxazolidin-2-one?
The canonical SMILES for 5-(4-fluorophenyl)-4-[[3-[(2-methylpropan-2-yl)oxy]phenyl]methyl]-1,3-oxazolidin-2-one is CC(C)(C)Oc1cccc(CC2NC(=O)OC2c2ccc(F)cc2)c1.
What is the InChIKey of 5-(4-fluorophenyl)-4-[[3-[(2-methylpropan-2-yl)oxy]phenyl]methyl]-1,3-oxazolidin-2-one?
The InChIKey is FKCIPTKMKWXIQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22FNO3/c1-20(2,3)25-16-6-4-5-13(11-16)12-17-18(24-19(23)22-17)14-7-9-15(21)10-8-14/h4-11,17-18H,12H2,1-3H3,(H,22,23).
What are the key properties of 5-(4-fluorophenyl)-4-[[3-[(2-methylpropan-2-yl)oxy]phenyl]methyl]-1,3-oxazolidin-2-one?
5-(4-fluorophenyl)-4-[[3-[(2-methylpropan-2-yl)oxy]phenyl]methyl]-1,3-oxazolidin-2-one has a molecular weight of 343.40 g/mol, XLogP of 4.40, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-fluorophenyl)-4-[[3-[(2-methylpropan-2-yl)oxy]phenyl]methyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 22261968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).