(4R)-4-benzhydryl-3-propanoyl-1,3-oxazolidin-2-one

C19H19NO3 — CID 11023283

IUPAC(4R)-4-benzhydryl-3-propanoyl-1,3-oxazolidin-2-one
SMILESCCC(=O)N1C(=O)OC[C@H]1C(c1ccccc1)c1ccccc1
InChIInChI=1S/C19H19NO3/c1-2-17(21)20-16(13-23-19(20)22)18(14-9-5-3-6-10-14)15-11-7-4-8-12-15/h3-12,16,18H,2,13H2,1H3/t16-/m0/s1
InChIKeyBOEUJIVYALXFLC-INIZCTEOSA-N
MW309.37 g/mol
LogP3.58
Rot. Bonds4

About (4R)-4-benzhydryl-3-propanoyl-1,3-oxazolidin-2-one

(4R)-4-benzhydryl-3-propanoyl-1,3-oxazolidin-2-one (PubChem CID 11023283) has the molecular formula C19H19NO3 and a molecular weight of 309.37 g/mol. Its IUPAC name is (4R)-4-benzhydryl-3-propanoyl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4R)-4-benzhydryl-3-propanoyl-1,3-oxazolidin-2-one
PubChem CID11023283
Molecular FormulaC19H19NO3
Molecular Weight309.37 g/mol
Exact Mass309.14
IUPAC Name(4R)-4-benzhydryl-3-propanoyl-1,3-oxazolidin-2-one
SMILESCCC(=O)N1C(=O)OC[C@H]1C(c1ccccc1)c1ccccc1
InChIInChI=1S/C19H19NO3/c1-2-17(21)20-16(13-23-19(20)22)18(14-9-5-3-6-10-14)15-11-7-4-8-12-15/h3-12,16,18H,2,13H2,1H3/t16-/m0/s1
InChIKeyBOEUJIVYALXFLC-INIZCTEOSA-N
XLogP3.58
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.37
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4R)-4-benzhydryl-3-propanoyl-1,3-oxazolidin-2-one?
The IUPAC name of (4R)-4-benzhydryl-3-propanoyl-1,3-oxazolidin-2-one (CID 11023283) is (4R)-4-benzhydryl-3-propanoyl-1,3-oxazolidin-2-one.
What is the SMILES notation for (4R)-4-benzhydryl-3-propanoyl-1,3-oxazolidin-2-one?
The canonical SMILES for (4R)-4-benzhydryl-3-propanoyl-1,3-oxazolidin-2-one is CCC(=O)N1C(=O)OC[C@H]1C(c1ccccc1)c1ccccc1.
What is the InChIKey of (4R)-4-benzhydryl-3-propanoyl-1,3-oxazolidin-2-one?
The InChIKey is BOEUJIVYALXFLC-INIZCTEOSA-N. The full InChI is InChI=1S/C19H19NO3/c1-2-17(21)20-16(13-23-19(20)22)18(14-9-5-3-6-10-14)15-11-7-4-8-12-15/h3-12,16,18H,2,13H2,1H3/t16-/m0/s1.
What are the key properties of (4R)-4-benzhydryl-3-propanoyl-1,3-oxazolidin-2-one?
(4R)-4-benzhydryl-3-propanoyl-1,3-oxazolidin-2-one has a molecular weight of 309.37 g/mol, XLogP of 3.58, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-benzhydryl-3-propanoyl-1,3-oxazolidin-2-one is sourced from PubChem (CID 11023283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).