(4S)-3-(2-methyl-3-phenylpropanoyl)-4-propan-2-yl-1,3-oxazolidin-2-one

C16H21NO3 — CID 134835001

IUPAC(4S)-3-(2-methyl-3-phenylpropanoyl)-4-propan-2-yl-1,3-oxazolidin-2-one
SMILESCC(Cc1ccccc1)C(=O)N1C(=O)OC[C@@H]1C(C)C
InChIInChI=1S/C16H21NO3/c1-11(2)14-10-20-16(19)17(14)15(18)12(3)9-13-7-5-4-6-8-13/h4-8,11-12,14H,9-10H2,1-3H3/t12?,14-/m1/s1
InChIKeyRUHWKXREZPLCRW-TYZXPVIJSA-N
MW275.35 g/mol
LogP2.87
Rot. Bonds4

About (4S)-3-(2-methyl-3-phenylpropanoyl)-4-propan-2-yl-1,3-oxazolidin-2-one

(4S)-3-(2-methyl-3-phenylpropanoyl)-4-propan-2-yl-1,3-oxazolidin-2-one (PubChem CID 134835001) has the molecular formula C16H21NO3 and a molecular weight of 275.35 g/mol. Its IUPAC name is (4S)-3-(2-methyl-3-phenylpropanoyl)-4-propan-2-yl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4S)-3-(2-methyl-3-phenylpropanoyl)-4-propan-2-yl-1,3-oxazolidin-2-one
PubChem CID134835001
Molecular FormulaC16H21NO3
Molecular Weight275.35 g/mol
Exact Mass275.15
IUPAC Name(4S)-3-(2-methyl-3-phenylpropanoyl)-4-propan-2-yl-1,3-oxazolidin-2-one
SMILESCC(Cc1ccccc1)C(=O)N1C(=O)OC[C@@H]1C(C)C
InChIInChI=1S/C16H21NO3/c1-11(2)14-10-20-16(19)17(14)15(18)12(3)9-13-7-5-4-6-8-13/h4-8,11-12,14H,9-10H2,1-3H3/t12?,14-/m1/s1
InChIKeyRUHWKXREZPLCRW-TYZXPVIJSA-N
XLogP2.87
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (4S)-3-(2-methyl-3-phenylpropanoyl)-4-propan-2-yl-1,3-oxazolidin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (4S)-3-(2-methyl-3-phenylpropanoyl)-4-propan-2-yl-1,3-oxazolidin-2-one?
The IUPAC name of (4S)-3-(2-methyl-3-phenylpropanoyl)-4-propan-2-yl-1,3-oxazolidin-2-one (CID 134835001) is (4S)-3-(2-methyl-3-phenylpropanoyl)-4-propan-2-yl-1,3-oxazolidin-2-one.
What is the SMILES notation for (4S)-3-(2-methyl-3-phenylpropanoyl)-4-propan-2-yl-1,3-oxazolidin-2-one?
The canonical SMILES for (4S)-3-(2-methyl-3-phenylpropanoyl)-4-propan-2-yl-1,3-oxazolidin-2-one is CC(Cc1ccccc1)C(=O)N1C(=O)OC[C@@H]1C(C)C.
What is the InChIKey of (4S)-3-(2-methyl-3-phenylpropanoyl)-4-propan-2-yl-1,3-oxazolidin-2-one?
The InChIKey is RUHWKXREZPLCRW-TYZXPVIJSA-N. The full InChI is InChI=1S/C16H21NO3/c1-11(2)14-10-20-16(19)17(14)15(18)12(3)9-13-7-5-4-6-8-13/h4-8,11-12,14H,9-10H2,1-3H3/t12?,14-/m1/s1.
What are the key properties of (4S)-3-(2-methyl-3-phenylpropanoyl)-4-propan-2-yl-1,3-oxazolidin-2-one?
(4S)-3-(2-methyl-3-phenylpropanoyl)-4-propan-2-yl-1,3-oxazolidin-2-one has a molecular weight of 275.35 g/mol, XLogP of 2.87, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-3-(2-methyl-3-phenylpropanoyl)-4-propan-2-yl-1,3-oxazolidin-2-one is sourced from PubChem (CID 134835001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).