4-tert-butyl-3-[(3R)-3-thiophen-3-ylbutanoyl]-1,3-oxazolidin-2-one

C15H21NO3S — CID 134969565

IUPAC4-tert-butyl-3-[(3R)-3-thiophen-3-ylbutanoyl]-1,3-oxazolidin-2-one
SMILESC[C@H](CC(=O)N1C(=O)OCC1C(C)(C)C)c1ccsc1
InChIInChI=1S/C15H21NO3S/c1-10(11-5-6-20-9-11)7-13(17)16-12(15(2,3)4)8-19-14(16)18/h5-6,9-10,12H,7-8H2,1-4H3/t10-,12?/m1/s1
InChIKeyHDFSRLUPVOSWAD-RWANSRKNSA-N
MW295.40 g/mol
LogP3.64
Rot. Bonds3

About 4-tert-butyl-3-[(3R)-3-thiophen-3-ylbutanoyl]-1,3-oxazolidin-2-one

4-tert-butyl-3-[(3R)-3-thiophen-3-ylbutanoyl]-1,3-oxazolidin-2-one (PubChem CID 134969565) has the molecular formula C15H21NO3S and a molecular weight of 295.40 g/mol. Its IUPAC name is 4-tert-butyl-3-[(3R)-3-thiophen-3-ylbutanoyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name4-tert-butyl-3-[(3R)-3-thiophen-3-ylbutanoyl]-1,3-oxazolidin-2-one
PubChem CID134969565
Molecular FormulaC15H21NO3S
Molecular Weight295.40 g/mol
Exact Mass295.12
IUPAC Name4-tert-butyl-3-[(3R)-3-thiophen-3-ylbutanoyl]-1,3-oxazolidin-2-one
SMILESC[C@H](CC(=O)N1C(=O)OCC1C(C)(C)C)c1ccsc1
InChIInChI=1S/C15H21NO3S/c1-10(11-5-6-20-9-11)7-13(17)16-12(15(2,3)4)8-19-14(16)18/h5-6,9-10,12H,7-8H2,1-4H3/t10-,12?/m1/s1
InChIKeyHDFSRLUPVOSWAD-RWANSRKNSA-N
XLogP3.64
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.40
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 4-tert-butyl-3-[(3R)-3-thiophen-3-ylbutanoyl]-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 4-tert-butyl-3-[(3R)-3-thiophen-3-ylbutanoyl]-1,3-oxazolidin-2-one?
The IUPAC name of 4-tert-butyl-3-[(3R)-3-thiophen-3-ylbutanoyl]-1,3-oxazolidin-2-one (CID 134969565) is 4-tert-butyl-3-[(3R)-3-thiophen-3-ylbutanoyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for 4-tert-butyl-3-[(3R)-3-thiophen-3-ylbutanoyl]-1,3-oxazolidin-2-one?
The canonical SMILES for 4-tert-butyl-3-[(3R)-3-thiophen-3-ylbutanoyl]-1,3-oxazolidin-2-one is C[C@H](CC(=O)N1C(=O)OCC1C(C)(C)C)c1ccsc1.
What is the InChIKey of 4-tert-butyl-3-[(3R)-3-thiophen-3-ylbutanoyl]-1,3-oxazolidin-2-one?
The InChIKey is HDFSRLUPVOSWAD-RWANSRKNSA-N. The full InChI is InChI=1S/C15H21NO3S/c1-10(11-5-6-20-9-11)7-13(17)16-12(15(2,3)4)8-19-14(16)18/h5-6,9-10,12H,7-8H2,1-4H3/t10-,12?/m1/s1.
What are the key properties of 4-tert-butyl-3-[(3R)-3-thiophen-3-ylbutanoyl]-1,3-oxazolidin-2-one?
4-tert-butyl-3-[(3R)-3-thiophen-3-ylbutanoyl]-1,3-oxazolidin-2-one has a molecular weight of 295.40 g/mol, XLogP of 3.64, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-3-[(3R)-3-thiophen-3-ylbutanoyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 134969565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).