5,5-dimethyl-3-[(2S)-2-methyl-3-phenylpropanoyl]-1,3-oxazolidin-2-one

C15H19NO3 — CID 100950638

IUPAC5,5-dimethyl-3-[(2S)-2-methyl-3-phenylpropanoyl]-1,3-oxazolidin-2-one
SMILESC[C@@H](Cc1ccccc1)C(=O)N1CC(C)(C)OC1=O
InChIInChI=1S/C15H19NO3/c1-11(9-12-7-5-4-6-8-12)13(17)16-10-15(2,3)19-14(16)18/h4-8,11H,9-10H2,1-3H3/t11-/m0/s1
InChIKeyBFQUBTFVCPWSGN-NSHDSACASA-N
MW261.32 g/mol
LogP2.62
Rot. Bonds3

About 5,5-dimethyl-3-[(2S)-2-methyl-3-phenylpropanoyl]-1,3-oxazolidin-2-one

5,5-dimethyl-3-[(2S)-2-methyl-3-phenylpropanoyl]-1,3-oxazolidin-2-one (PubChem CID 100950638) has the molecular formula C15H19NO3 and a molecular weight of 261.32 g/mol. Its IUPAC name is 5,5-dimethyl-3-[(2S)-2-methyl-3-phenylpropanoyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name5,5-dimethyl-3-[(2S)-2-methyl-3-phenylpropanoyl]-1,3-oxazolidin-2-one
PubChem CID100950638
Molecular FormulaC15H19NO3
Molecular Weight261.32 g/mol
Exact Mass261.14
IUPAC Name5,5-dimethyl-3-[(2S)-2-methyl-3-phenylpropanoyl]-1,3-oxazolidin-2-one
SMILESC[C@@H](Cc1ccccc1)C(=O)N1CC(C)(C)OC1=O
InChIInChI=1S/C15H19NO3/c1-11(9-12-7-5-4-6-8-12)13(17)16-10-15(2,3)19-14(16)18/h4-8,11H,9-10H2,1-3H3/t11-/m0/s1
InChIKeyBFQUBTFVCPWSGN-NSHDSACASA-N
XLogP2.62
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 5,5-dimethyl-3-[(2S)-2-methyl-3-phenylpropanoyl]-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 5,5-dimethyl-3-[(2S)-2-methyl-3-phenylpropanoyl]-1,3-oxazolidin-2-one?
The IUPAC name of 5,5-dimethyl-3-[(2S)-2-methyl-3-phenylpropanoyl]-1,3-oxazolidin-2-one (CID 100950638) is 5,5-dimethyl-3-[(2S)-2-methyl-3-phenylpropanoyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for 5,5-dimethyl-3-[(2S)-2-methyl-3-phenylpropanoyl]-1,3-oxazolidin-2-one?
The canonical SMILES for 5,5-dimethyl-3-[(2S)-2-methyl-3-phenylpropanoyl]-1,3-oxazolidin-2-one is C[C@@H](Cc1ccccc1)C(=O)N1CC(C)(C)OC1=O.
What is the InChIKey of 5,5-dimethyl-3-[(2S)-2-methyl-3-phenylpropanoyl]-1,3-oxazolidin-2-one?
The InChIKey is BFQUBTFVCPWSGN-NSHDSACASA-N. The full InChI is InChI=1S/C15H19NO3/c1-11(9-12-7-5-4-6-8-12)13(17)16-10-15(2,3)19-14(16)18/h4-8,11H,9-10H2,1-3H3/t11-/m0/s1.
What are the key properties of 5,5-dimethyl-3-[(2S)-2-methyl-3-phenylpropanoyl]-1,3-oxazolidin-2-one?
5,5-dimethyl-3-[(2S)-2-methyl-3-phenylpropanoyl]-1,3-oxazolidin-2-one has a molecular weight of 261.32 g/mol, XLogP of 2.62, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-dimethyl-3-[(2S)-2-methyl-3-phenylpropanoyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 100950638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).