(4R,5S)-3-[(2-fluorophenyl)methyl]-2-oxo-5-propan-2-yl-1,3-oxazolidine-4-carboxylic acid

C14H16FNO4 — CID 139935309

IUPAC(4R,5S)-3-[(2-fluorophenyl)methyl]-2-oxo-5-propan-2-yl-1,3-oxazolidine-4-carboxylic acid
SMILESCC(C)[C@@H]1OC(=O)N(Cc2ccccc2F)[C@H]1C(=O)O
InChIInChI=1S/C14H16FNO4/c1-8(2)12-11(13(17)18)16(14(19)20-12)7-9-5-3-4-6-10(9)15/h3-6,8,11-12H,7H2,1-2H3,(H,17,18)/t11-,12+/m1/s1
InChIKeyDOUMZNTWQGQJMW-NEPJUHHUSA-N
MW281.28 g/mol
LogP2.26
Rot. Bonds4

About (4R,5S)-3-[(2-fluorophenyl)methyl]-2-oxo-5-propan-2-yl-1,3-oxazolidine-4-carboxylic acid

(4R,5S)-3-[(2-fluorophenyl)methyl]-2-oxo-5-propan-2-yl-1,3-oxazolidine-4-carboxylic acid (PubChem CID 139935309) has the molecular formula C14H16FNO4 and a molecular weight of 281.28 g/mol. Its IUPAC name is (4R,5S)-3-[(2-fluorophenyl)methyl]-2-oxo-5-propan-2-yl-1,3-oxazolidine-4-carboxylic acid.

Molecular Properties

Compound Name(4R,5S)-3-[(2-fluorophenyl)methyl]-2-oxo-5-propan-2-yl-1,3-oxazolidine-4-carboxylic acid
PubChem CID139935309
Molecular FormulaC14H16FNO4
Molecular Weight281.28 g/mol
Exact Mass281.11
IUPAC Name(4R,5S)-3-[(2-fluorophenyl)methyl]-2-oxo-5-propan-2-yl-1,3-oxazolidine-4-carboxylic acid
SMILESCC(C)[C@@H]1OC(=O)N(Cc2ccccc2F)[C@H]1C(=O)O
InChIInChI=1S/C14H16FNO4/c1-8(2)12-11(13(17)18)16(14(19)20-12)7-9-5-3-4-6-10(9)15/h3-6,8,11-12H,7H2,1-2H3,(H,17,18)/t11-,12+/m1/s1
InChIKeyDOUMZNTWQGQJMW-NEPJUHHUSA-N
XLogP2.26
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.28
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4R,5S)-3-[(2-fluorophenyl)methyl]-2-oxo-5-propan-2-yl-1,3-oxazolidine-4-carboxylic acid?
The IUPAC name of (4R,5S)-3-[(2-fluorophenyl)methyl]-2-oxo-5-propan-2-yl-1,3-oxazolidine-4-carboxylic acid (CID 139935309) is (4R,5S)-3-[(2-fluorophenyl)methyl]-2-oxo-5-propan-2-yl-1,3-oxazolidine-4-carboxylic acid.
What is the SMILES notation for (4R,5S)-3-[(2-fluorophenyl)methyl]-2-oxo-5-propan-2-yl-1,3-oxazolidine-4-carboxylic acid?
The canonical SMILES for (4R,5S)-3-[(2-fluorophenyl)methyl]-2-oxo-5-propan-2-yl-1,3-oxazolidine-4-carboxylic acid is CC(C)[C@@H]1OC(=O)N(Cc2ccccc2F)[C@H]1C(=O)O.
What is the InChIKey of (4R,5S)-3-[(2-fluorophenyl)methyl]-2-oxo-5-propan-2-yl-1,3-oxazolidine-4-carboxylic acid?
The InChIKey is DOUMZNTWQGQJMW-NEPJUHHUSA-N. The full InChI is InChI=1S/C14H16FNO4/c1-8(2)12-11(13(17)18)16(14(19)20-12)7-9-5-3-4-6-10(9)15/h3-6,8,11-12H,7H2,1-2H3,(H,17,18)/t11-,12+/m1/s1.
What are the key properties of (4R,5S)-3-[(2-fluorophenyl)methyl]-2-oxo-5-propan-2-yl-1,3-oxazolidine-4-carboxylic acid?
(4R,5S)-3-[(2-fluorophenyl)methyl]-2-oxo-5-propan-2-yl-1,3-oxazolidine-4-carboxylic acid has a molecular weight of 281.28 g/mol, XLogP of 2.26, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,5S)-3-[(2-fluorophenyl)methyl]-2-oxo-5-propan-2-yl-1,3-oxazolidine-4-carboxylic acid is sourced from PubChem (CID 139935309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).