(4R)-4-[(2-fluorophenyl)methyl]-3-propanoyl-1,3-oxazolidin-2-one

C13H14FNO3 — CID 130408542

IUPAC(4R)-4-[(2-fluorophenyl)methyl]-3-propanoyl-1,3-oxazolidin-2-one
SMILESCCC(=O)N1C(=O)OC[C@H]1Cc1ccccc1F
InChIInChI=1S/C13H14FNO3/c1-2-12(16)15-10(8-18-13(15)17)7-9-5-3-4-6-11(9)14/h3-6,10H,2,7-8H2,1H3/t10-/m1/s1
InChIKeyPHFFWZGITUYYLM-SNVBAGLBSA-N
MW251.26 g/mol
LogP2.13
Rot. Bonds3

About (4R)-4-[(2-fluorophenyl)methyl]-3-propanoyl-1,3-oxazolidin-2-one

(4R)-4-[(2-fluorophenyl)methyl]-3-propanoyl-1,3-oxazolidin-2-one (PubChem CID 130408542) has the molecular formula C13H14FNO3 and a molecular weight of 251.26 g/mol. Its IUPAC name is (4R)-4-[(2-fluorophenyl)methyl]-3-propanoyl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4R)-4-[(2-fluorophenyl)methyl]-3-propanoyl-1,3-oxazolidin-2-one
PubChem CID130408542
Molecular FormulaC13H14FNO3
Molecular Weight251.26 g/mol
Exact Mass251.10
IUPAC Name(4R)-4-[(2-fluorophenyl)methyl]-3-propanoyl-1,3-oxazolidin-2-one
SMILESCCC(=O)N1C(=O)OC[C@H]1Cc1ccccc1F
InChIInChI=1S/C13H14FNO3/c1-2-12(16)15-10(8-18-13(15)17)7-9-5-3-4-6-11(9)14/h3-6,10H,2,7-8H2,1H3/t10-/m1/s1
InChIKeyPHFFWZGITUYYLM-SNVBAGLBSA-N
XLogP2.13
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.26
LogP ≤ 52.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4R)-4-[(2-fluorophenyl)methyl]-3-propanoyl-1,3-oxazolidin-2-one?
The IUPAC name of (4R)-4-[(2-fluorophenyl)methyl]-3-propanoyl-1,3-oxazolidin-2-one (CID 130408542) is (4R)-4-[(2-fluorophenyl)methyl]-3-propanoyl-1,3-oxazolidin-2-one.
What is the SMILES notation for (4R)-4-[(2-fluorophenyl)methyl]-3-propanoyl-1,3-oxazolidin-2-one?
The canonical SMILES for (4R)-4-[(2-fluorophenyl)methyl]-3-propanoyl-1,3-oxazolidin-2-one is CCC(=O)N1C(=O)OC[C@H]1Cc1ccccc1F.
What is the InChIKey of (4R)-4-[(2-fluorophenyl)methyl]-3-propanoyl-1,3-oxazolidin-2-one?
The InChIKey is PHFFWZGITUYYLM-SNVBAGLBSA-N. The full InChI is InChI=1S/C13H14FNO3/c1-2-12(16)15-10(8-18-13(15)17)7-9-5-3-4-6-11(9)14/h3-6,10H,2,7-8H2,1H3/t10-/m1/s1.
What are the key properties of (4R)-4-[(2-fluorophenyl)methyl]-3-propanoyl-1,3-oxazolidin-2-one?
(4R)-4-[(2-fluorophenyl)methyl]-3-propanoyl-1,3-oxazolidin-2-one has a molecular weight of 251.26 g/mol, XLogP of 2.13, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-[(2-fluorophenyl)methyl]-3-propanoyl-1,3-oxazolidin-2-one is sourced from PubChem (CID 130408542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).