(4S)-3-[(3R)-3-(4-fluorophenyl)butanoyl]-4-propan-2-yl-1,3-oxazolidin-2-one

C16H20FNO3 — CID 11266350

IUPAC(4S)-3-[(3R)-3-(4-fluorophenyl)butanoyl]-4-propan-2-yl-1,3-oxazolidin-2-one
SMILESCC(C)[C@H]1COC(=O)N1C(=O)C[C@@H](C)c1ccc(F)cc1
InChIInChI=1S/C16H20FNO3/c1-10(2)14-9-21-16(20)18(14)15(19)8-11(3)12-4-6-13(17)7-5-12/h4-7,10-11,14H,8-9H2,1-3H3/t11-,14-/m1/s1
InChIKeyYKNRJOCBTUVEBH-BXUZGUMPSA-N
MW293.34 g/mol
LogP3.32
Rot. Bonds4

About (4S)-3-[(3R)-3-(4-fluorophenyl)butanoyl]-4-propan-2-yl-1,3-oxazolidin-2-one

(4S)-3-[(3R)-3-(4-fluorophenyl)butanoyl]-4-propan-2-yl-1,3-oxazolidin-2-one (PubChem CID 11266350) has the molecular formula C16H20FNO3 and a molecular weight of 293.34 g/mol. Its IUPAC name is (4S)-3-[(3R)-3-(4-fluorophenyl)butanoyl]-4-propan-2-yl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4S)-3-[(3R)-3-(4-fluorophenyl)butanoyl]-4-propan-2-yl-1,3-oxazolidin-2-one
PubChem CID11266350
Molecular FormulaC16H20FNO3
Molecular Weight293.34 g/mol
Exact Mass293.14
IUPAC Name(4S)-3-[(3R)-3-(4-fluorophenyl)butanoyl]-4-propan-2-yl-1,3-oxazolidin-2-one
SMILESCC(C)[C@H]1COC(=O)N1C(=O)C[C@@H](C)c1ccc(F)cc1
InChIInChI=1S/C16H20FNO3/c1-10(2)14-9-21-16(20)18(14)15(19)8-11(3)12-4-6-13(17)7-5-12/h4-7,10-11,14H,8-9H2,1-3H3/t11-,14-/m1/s1
InChIKeyYKNRJOCBTUVEBH-BXUZGUMPSA-N
XLogP3.32
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.34
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4S)-3-[(3R)-3-(4-fluorophenyl)butanoyl]-4-propan-2-yl-1,3-oxazolidin-2-one?
The IUPAC name of (4S)-3-[(3R)-3-(4-fluorophenyl)butanoyl]-4-propan-2-yl-1,3-oxazolidin-2-one (CID 11266350) is (4S)-3-[(3R)-3-(4-fluorophenyl)butanoyl]-4-propan-2-yl-1,3-oxazolidin-2-one.
What is the SMILES notation for (4S)-3-[(3R)-3-(4-fluorophenyl)butanoyl]-4-propan-2-yl-1,3-oxazolidin-2-one?
The canonical SMILES for (4S)-3-[(3R)-3-(4-fluorophenyl)butanoyl]-4-propan-2-yl-1,3-oxazolidin-2-one is CC(C)[C@H]1COC(=O)N1C(=O)C[C@@H](C)c1ccc(F)cc1.
What is the InChIKey of (4S)-3-[(3R)-3-(4-fluorophenyl)butanoyl]-4-propan-2-yl-1,3-oxazolidin-2-one?
The InChIKey is YKNRJOCBTUVEBH-BXUZGUMPSA-N. The full InChI is InChI=1S/C16H20FNO3/c1-10(2)14-9-21-16(20)18(14)15(19)8-11(3)12-4-6-13(17)7-5-12/h4-7,10-11,14H,8-9H2,1-3H3/t11-,14-/m1/s1.
What are the key properties of (4S)-3-[(3R)-3-(4-fluorophenyl)butanoyl]-4-propan-2-yl-1,3-oxazolidin-2-one?
(4S)-3-[(3R)-3-(4-fluorophenyl)butanoyl]-4-propan-2-yl-1,3-oxazolidin-2-one has a molecular weight of 293.34 g/mol, XLogP of 3.32, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-3-[(3R)-3-(4-fluorophenyl)butanoyl]-4-propan-2-yl-1,3-oxazolidin-2-one is sourced from PubChem (CID 11266350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).