5-(4-fluorophenyl)-4-[(3-propan-2-yloxyphenyl)methyl]-1,3-oxazolidin-2-one

C19H20FNO3 — CID 22261652

IUPAC5-(4-fluorophenyl)-4-[(3-propan-2-yloxyphenyl)methyl]-1,3-oxazolidin-2-one
SMILESCC(C)Oc1cccc(CC2NC(=O)OC2c2ccc(F)cc2)c1
InChIInChI=1S/C19H20FNO3/c1-12(2)23-16-5-3-4-13(10-16)11-17-18(24-19(22)21-17)14-6-8-15(20)9-7-14/h3-10,12,17-18H,11H2,1-2H3,(H,21,22)
InChIKeyUPSYMTNMLYZEBN-UHFFFAOYSA-N
MW329.37 g/mol
LogP4.01
Rot. Bonds5

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

5-(4-fluorophenyl)-4-[(3-propan-2-yloxyphenyl)methyl]-1,3-oxazolidin-2-one (PubChem CID 22261652) has the molecular formula C19H20FNO3 and a molecular weight of 329.37 g/mol. Its IUPAC name is 5-(4-fluorophenyl)-4-[(3-propan-2-yloxyphenyl)methyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name5-(4-fluorophenyl)-4-[(3-propan-2-yloxyphenyl)methyl]-1,3-oxazolidin-2-one
PubChem CID22261652
Molecular FormulaC19H20FNO3
Molecular Weight329.37 g/mol
Exact Mass329.14
IUPAC Name5-(4-fluorophenyl)-4-[(3-propan-2-yloxyphenyl)methyl]-1,3-oxazolidin-2-one
SMILESCC(C)Oc1cccc(CC2NC(=O)OC2c2ccc(F)cc2)c1
InChIInChI=1S/C19H20FNO3/c1-12(2)23-16-5-3-4-13(10-16)11-17-18(24-19(22)21-17)14-6-8-15(20)9-7-14/h3-10,12,17-18H,11H2,1-2H3,(H,21,22)
InChIKeyUPSYMTNMLYZEBN-UHFFFAOYSA-N
XLogP4.01
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.37
LogP ≤ 54.01
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-propan-2-yloxyphenyl)methyl]-1,3-oxazolidin-2-one?
The IUPAC name of 5-(4-fluorophenyl)-4-[(3-propan-2-yloxyphenyl)methyl]-1,3-oxazolidin-2-one (CID 22261652) is 5-(4-fluorophenyl)-4-[(3-propan-2-yloxyphenyl)methyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for 5-(4-fluorophenyl)-4-[(3-propan-2-yloxyphenyl)methyl]-1,3-oxazolidin-2-one?
The canonical SMILES for 5-(4-fluorophenyl)-4-[(3-propan-2-yloxyphenyl)methyl]-1,3-oxazolidin-2-one is CC(C)Oc1cccc(CC2NC(=O)OC2c2ccc(F)cc2)c1.
What is the InChIKey of 5-(4-fluorophenyl)-4-[(3-propan-2-yloxyphenyl)methyl]-1,3-oxazolidin-2-one?
The InChIKey is UPSYMTNMLYZEBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20FNO3/c1-12(2)23-16-5-3-4-13(10-16)11-17-18(24-19(22)21-17)14-6-8-15(20)9-7-14/h3-10,12,17-18H,11H2,1-2H3,(H,21,22).
What are the key properties of 5-(4-fluorophenyl)-4-[(3-propan-2-yloxyphenyl)methyl]-1,3-oxazolidin-2-one?
5-(4-fluorophenyl)-4-[(3-propan-2-yloxyphenyl)methyl]-1,3-oxazolidin-2-one has a molecular weight of 329.37 g/mol, XLogP of 4.01, 5 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-propan-2-yloxyphenyl)methyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 22261652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).