(4S)-4-benzyl-3-(3-phenylpropanoyl)-1,3-oxazolidin-2-one

C19H19NO3 — CID 10957844

IUPAC(4S)-4-benzyl-3-(3-phenylpropanoyl)-1,3-oxazolidin-2-one
SMILESO=C(CCc1ccccc1)N1C(=O)OC[C@@H]1Cc1ccccc1
InChIInChI=1S/C19H19NO3/c21-18(12-11-15-7-3-1-4-8-15)20-17(14-23-19(20)22)13-16-9-5-2-6-10-16/h1-10,17H,11-14H2/t17-/m0/s1
InChIKeyCDSPCWKYSYEPMH-KRWDZBQOSA-N
MW309.37 g/mol
LogP3.21
Rot. Bonds5

About (4S)-4-benzyl-3-(3-phenylpropanoyl)-1,3-oxazolidin-2-one

(4S)-4-benzyl-3-(3-phenylpropanoyl)-1,3-oxazolidin-2-one (PubChem CID 10957844) has the molecular formula C19H19NO3 and a molecular weight of 309.37 g/mol. Its IUPAC name is (4S)-4-benzyl-3-(3-phenylpropanoyl)-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4S)-4-benzyl-3-(3-phenylpropanoyl)-1,3-oxazolidin-2-one
PubChem CID10957844
Molecular FormulaC19H19NO3
Molecular Weight309.37 g/mol
Exact Mass309.14
IUPAC Name(4S)-4-benzyl-3-(3-phenylpropanoyl)-1,3-oxazolidin-2-one
SMILESO=C(CCc1ccccc1)N1C(=O)OC[C@@H]1Cc1ccccc1
InChIInChI=1S/C19H19NO3/c21-18(12-11-15-7-3-1-4-8-15)20-17(14-23-19(20)22)13-16-9-5-2-6-10-16/h1-10,17H,11-14H2/t17-/m0/s1
InChIKeyCDSPCWKYSYEPMH-KRWDZBQOSA-N
XLogP3.21
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.37
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4S)-4-benzyl-3-(3-phenylpropanoyl)-1,3-oxazolidin-2-one?
The IUPAC name of (4S)-4-benzyl-3-(3-phenylpropanoyl)-1,3-oxazolidin-2-one (CID 10957844) is (4S)-4-benzyl-3-(3-phenylpropanoyl)-1,3-oxazolidin-2-one.
What is the SMILES notation for (4S)-4-benzyl-3-(3-phenylpropanoyl)-1,3-oxazolidin-2-one?
The canonical SMILES for (4S)-4-benzyl-3-(3-phenylpropanoyl)-1,3-oxazolidin-2-one is O=C(CCc1ccccc1)N1C(=O)OC[C@@H]1Cc1ccccc1.
What is the InChIKey of (4S)-4-benzyl-3-(3-phenylpropanoyl)-1,3-oxazolidin-2-one?
The InChIKey is CDSPCWKYSYEPMH-KRWDZBQOSA-N. The full InChI is InChI=1S/C19H19NO3/c21-18(12-11-15-7-3-1-4-8-15)20-17(14-23-19(20)22)13-16-9-5-2-6-10-16/h1-10,17H,11-14H2/t17-/m0/s1.
What are the key properties of (4S)-4-benzyl-3-(3-phenylpropanoyl)-1,3-oxazolidin-2-one?
(4S)-4-benzyl-3-(3-phenylpropanoyl)-1,3-oxazolidin-2-one has a molecular weight of 309.37 g/mol, XLogP of 3.21, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-benzyl-3-(3-phenylpropanoyl)-1,3-oxazolidin-2-one is sourced from PubChem (CID 10957844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).