(4R)-4-benzyl-3-[(2R)-3-cyclohexyl-2-fluoropropanoyl]-1,3-oxazolidin-2-one

C19H24FNO3 — CID 135024902

IUPAC(4R)-4-benzyl-3-[(2R)-3-cyclohexyl-2-fluoropropanoyl]-1,3-oxazolidin-2-one
SMILESO=C1OC[C@@H](Cc2ccccc2)N1C(=O)[C@H](F)CC1CCCCC1
InChIInChI=1S/C19H24FNO3/c20-17(12-15-9-5-2-6-10-15)18(22)21-16(13-24-19(21)23)11-14-7-3-1-4-8-14/h1,3-4,7-8,15-17H,2,5-6,9-13H2/t16-,17-/m1/s1
InChIKeyKGRKFVAYPHXHKT-IAGOWNOFSA-N
MW333.40 g/mol
LogP3.88
Rot. Bonds5

About (4R)-4-benzyl-3-[(2R)-3-cyclohexyl-2-fluoropropanoyl]-1,3-oxazolidin-2-one

(4R)-4-benzyl-3-[(2R)-3-cyclohexyl-2-fluoropropanoyl]-1,3-oxazolidin-2-one (PubChem CID 135024902) has the molecular formula C19H24FNO3 and a molecular weight of 333.40 g/mol. Its IUPAC name is (4R)-4-benzyl-3-[(2R)-3-cyclohexyl-2-fluoropropanoyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4R)-4-benzyl-3-[(2R)-3-cyclohexyl-2-fluoropropanoyl]-1,3-oxazolidin-2-one
PubChem CID135024902
Molecular FormulaC19H24FNO3
Molecular Weight333.40 g/mol
Exact Mass333.17
IUPAC Name(4R)-4-benzyl-3-[(2R)-3-cyclohexyl-2-fluoropropanoyl]-1,3-oxazolidin-2-one
SMILESO=C1OC[C@@H](Cc2ccccc2)N1C(=O)[C@H](F)CC1CCCCC1
InChIInChI=1S/C19H24FNO3/c20-17(12-15-9-5-2-6-10-15)18(22)21-16(13-24-19(21)23)11-14-7-3-1-4-8-14/h1,3-4,7-8,15-17H,2,5-6,9-13H2/t16-,17-/m1/s1
InChIKeyKGRKFVAYPHXHKT-IAGOWNOFSA-N
XLogP3.88
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.40
LogP ≤ 53.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4R)-4-benzyl-3-[(2R)-3-cyclohexyl-2-fluoropropanoyl]-1,3-oxazolidin-2-one?
The IUPAC name of (4R)-4-benzyl-3-[(2R)-3-cyclohexyl-2-fluoropropanoyl]-1,3-oxazolidin-2-one (CID 135024902) is (4R)-4-benzyl-3-[(2R)-3-cyclohexyl-2-fluoropropanoyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for (4R)-4-benzyl-3-[(2R)-3-cyclohexyl-2-fluoropropanoyl]-1,3-oxazolidin-2-one?
The canonical SMILES for (4R)-4-benzyl-3-[(2R)-3-cyclohexyl-2-fluoropropanoyl]-1,3-oxazolidin-2-one is O=C1OC[C@@H](Cc2ccccc2)N1C(=O)[C@H](F)CC1CCCCC1.
What is the InChIKey of (4R)-4-benzyl-3-[(2R)-3-cyclohexyl-2-fluoropropanoyl]-1,3-oxazolidin-2-one?
The InChIKey is KGRKFVAYPHXHKT-IAGOWNOFSA-N. The full InChI is InChI=1S/C19H24FNO3/c20-17(12-15-9-5-2-6-10-15)18(22)21-16(13-24-19(21)23)11-14-7-3-1-4-8-14/h1,3-4,7-8,15-17H,2,5-6,9-13H2/t16-,17-/m1/s1.
What are the key properties of (4R)-4-benzyl-3-[(2R)-3-cyclohexyl-2-fluoropropanoyl]-1,3-oxazolidin-2-one?
(4R)-4-benzyl-3-[(2R)-3-cyclohexyl-2-fluoropropanoyl]-1,3-oxazolidin-2-one has a molecular weight of 333.40 g/mol, XLogP of 3.88, 5 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)-3-cyclohexyl-2-fluoropropanoyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 135024902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).