(4R)-4-benzyl-3-[(2R)-2-fluoro-3-methylbutanoyl]-1,3-oxazolidin-2-one

C15H18FNO3 — CID 135042445

IUPAC(4R)-4-benzyl-3-[(2R)-2-fluoro-3-methylbutanoyl]-1,3-oxazolidin-2-one
SMILESCC(C)[C@@H](F)C(=O)N1C(=O)OC[C@H]1Cc1ccccc1
InChIInChI=1S/C15H18FNO3/c1-10(2)13(16)14(18)17-12(9-20-15(17)19)8-11-6-4-3-5-7-11/h3-7,10,12-13H,8-9H2,1-2H3/t12-,13-/m1/s1
InChIKeyVFLKGJHHKHORNK-CHWSQXEVSA-N
MW279.31 g/mol
LogP2.57
Rot. Bonds4

About (4R)-4-benzyl-3-[(2R)-2-fluoro-3-methylbutanoyl]-1,3-oxazolidin-2-one

(4R)-4-benzyl-3-[(2R)-2-fluoro-3-methylbutanoyl]-1,3-oxazolidin-2-one (PubChem CID 135042445) has the molecular formula C15H18FNO3 and a molecular weight of 279.31 g/mol. Its IUPAC name is (4R)-4-benzyl-3-[(2R)-2-fluoro-3-methylbutanoyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4R)-4-benzyl-3-[(2R)-2-fluoro-3-methylbutanoyl]-1,3-oxazolidin-2-one
PubChem CID135042445
Molecular FormulaC15H18FNO3
Molecular Weight279.31 g/mol
Exact Mass279.13
IUPAC Name(4R)-4-benzyl-3-[(2R)-2-fluoro-3-methylbutanoyl]-1,3-oxazolidin-2-one
SMILESCC(C)[C@@H](F)C(=O)N1C(=O)OC[C@H]1Cc1ccccc1
InChIInChI=1S/C15H18FNO3/c1-10(2)13(16)14(18)17-12(9-20-15(17)19)8-11-6-4-3-5-7-11/h3-7,10,12-13H,8-9H2,1-2H3/t12-,13-/m1/s1
InChIKeyVFLKGJHHKHORNK-CHWSQXEVSA-N
XLogP2.57
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.31
LogP ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-(6-Phenylhexanoyl) oxazolidin-2-one
CID 101746948
(S)-(+)-3-Acetyl-4-benzyl-2-oxazolidinone
CID 735929
(4S)-4-Benzyl-3-propanoyl-1,3-oxazolidin-2-one
CID 2733696
Locostatin
CID 5702600
2-Oxazolidinone, 3-(1-oxodecyl)-4-(phenylmethyl)-, (4S)-
CID 10496737
4-Benzyl-3-propionyl-1,3-oxazolidine
CID 11842098
(4S)-3-[(2E)-But-2-enoyl]-4-phenyl-1,3-oxazolidin-2-one
CID 5469245
3-[5-(4-Fluorophenyl)pentanoyl]-1,3-oxazolidin-2-one
CID 71098231
3-[6-(3-Fluorophenyl)hexanoyl]-1,3-oxazolidin-2-one
CID 132141210
(S)-4-Benzyl-3-chloroacetyl-2-oxazolidinone
CID 10879628
4-Benzyl-2,2-dimethyl-3-propionyl-1,3-oxazolidine
CID 11842087
4-Benzyl-3-methylsulfanyl-1,3-oxazolidin-2-one
CID 11992672

Frequently Asked Questions

What is the IUPAC name of (4R)-4-benzyl-3-[(2R)-2-fluoro-3-methylbutanoyl]-1,3-oxazolidin-2-one?
The IUPAC name of (4R)-4-benzyl-3-[(2R)-2-fluoro-3-methylbutanoyl]-1,3-oxazolidin-2-one (CID 135042445) is (4R)-4-benzyl-3-[(2R)-2-fluoro-3-methylbutanoyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for (4R)-4-benzyl-3-[(2R)-2-fluoro-3-methylbutanoyl]-1,3-oxazolidin-2-one?
The canonical SMILES for (4R)-4-benzyl-3-[(2R)-2-fluoro-3-methylbutanoyl]-1,3-oxazolidin-2-one is CC(C)[C@@H](F)C(=O)N1C(=O)OC[C@H]1Cc1ccccc1.
What is the InChIKey of (4R)-4-benzyl-3-[(2R)-2-fluoro-3-methylbutanoyl]-1,3-oxazolidin-2-one?
The InChIKey is VFLKGJHHKHORNK-CHWSQXEVSA-N. The full InChI is InChI=1S/C15H18FNO3/c1-10(2)13(16)14(18)17-12(9-20-15(17)19)8-11-6-4-3-5-7-11/h3-7,10,12-13H,8-9H2,1-2H3/t12-,13-/m1/s1.
What are the key properties of (4R)-4-benzyl-3-[(2R)-2-fluoro-3-methylbutanoyl]-1,3-oxazolidin-2-one?
(4R)-4-benzyl-3-[(2R)-2-fluoro-3-methylbutanoyl]-1,3-oxazolidin-2-one has a molecular weight of 279.31 g/mol, XLogP of 2.57, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-benzyl-3-[(2R)-2-fluoro-3-methylbutanoyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 135042445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).