tert-butyl N-[(2S,3S)-1-[(4S)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]-4,4,4-trifluoro-3-methyl-1-oxobutan-2-yl]carbamate

C20H25F3N2O5 — CID 71475970

IUPACtert-butyl N-[(2S,3S)-1-[(4S)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]-4,4,4-trifluoro-3-methyl-1-oxobutan-2-yl]carbamate
SMILESC[C@@H]([C@H](NC(=O)OC(C)(C)C)C(=O)N1C(=O)OC[C@@H]1Cc1ccccc1)C(F)(F)F
InChIInChI=1S/C20H25F3N2O5/c1-12(20(21,22)23)15(24-17(27)30-19(2,3)4)16(26)25-14(11-29-18(25)28)10-13-8-6-5-7-9-13/h5-9,12,14-15H,10-11H2,1-4H3,(H,24,27)/t12-,14-,15-/m0/s1
InChIKeySWFHQAMKQLOKKV-QEJZJMRPSA-N
MW430.42 g/mol
LogP3.67
Rot. Bonds5

About tert-butyl N-[(2S,3S)-1-[(4S)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]-4,4,4-trifluoro-3-methyl-1-oxobutan-2-yl]carbamate

tert-butyl N-[(2S,3S)-1-[(4S)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]-4,4,4-trifluoro-3-methyl-1-oxobutan-2-yl]carbamate (PubChem CID 71475970) has the molecular formula C20H25F3N2O5 and a molecular weight of 430.42 g/mol. Its IUPAC name is tert-butyl N-[(2S,3S)-1-[(4S)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]-4,4,4-trifluoro-3-methyl-1-oxobutan-2-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(2S,3S)-1-[(4S)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]-4,4,4-trifluoro-3-methyl-1-oxobutan-2-yl]carbamate
PubChem CID71475970
Molecular FormulaC20H25F3N2O5
Molecular Weight430.42 g/mol
Exact Mass430.17
IUPAC Nametert-butyl N-[(2S,3S)-1-[(4S)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]-4,4,4-trifluoro-3-methyl-1-oxobutan-2-yl]carbamate
SMILESC[C@@H]([C@H](NC(=O)OC(C)(C)C)C(=O)N1C(=O)OC[C@@H]1Cc1ccccc1)C(F)(F)F
InChIInChI=1S/C20H25F3N2O5/c1-12(20(21,22)23)15(24-17(27)30-19(2,3)4)16(26)25-14(11-29-18(25)28)10-13-8-6-5-7-9-13/h5-9,12,14-15H,10-11H2,1-4H3,(H,24,27)/t12-,14-,15-/m0/s1
InChIKeySWFHQAMKQLOKKV-QEJZJMRPSA-N
XLogP3.67
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.42
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze tert-butyl N-[(2S,3S)-1-[(4S)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]-4,4,4-trifluoro-3-methyl-1-oxobutan-2-yl]carbamate 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 tert-butyl N-[(2S,3S)-1-[(4S)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]-4,4,4-trifluoro-3-methyl-1-oxobutan-2-yl]carbamate?
The IUPAC name of tert-butyl N-[(2S,3S)-1-[(4S)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]-4,4,4-trifluoro-3-methyl-1-oxobutan-2-yl]carbamate (CID 71475970) is tert-butyl N-[(2S,3S)-1-[(4S)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]-4,4,4-trifluoro-3-methyl-1-oxobutan-2-yl]carbamate.
What is the SMILES notation for tert-butyl N-[(2S,3S)-1-[(4S)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]-4,4,4-trifluoro-3-methyl-1-oxobutan-2-yl]carbamate?
The canonical SMILES for tert-butyl N-[(2S,3S)-1-[(4S)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]-4,4,4-trifluoro-3-methyl-1-oxobutan-2-yl]carbamate is C[C@@H]([C@H](NC(=O)OC(C)(C)C)C(=O)N1C(=O)OC[C@@H]1Cc1ccccc1)C(F)(F)F.
What is the InChIKey of tert-butyl N-[(2S,3S)-1-[(4S)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]-4,4,4-trifluoro-3-methyl-1-oxobutan-2-yl]carbamate?
The InChIKey is SWFHQAMKQLOKKV-QEJZJMRPSA-N. The full InChI is InChI=1S/C20H25F3N2O5/c1-12(20(21,22)23)15(24-17(27)30-19(2,3)4)16(26)25-14(11-29-18(25)28)10-13-8-6-5-7-9-13/h5-9,12,14-15H,10-11H2,1-4H3,(H,24,27)/t12-,14-,15-/m0/s1.
What are the key properties of tert-butyl N-[(2S,3S)-1-[(4S)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]-4,4,4-trifluoro-3-methyl-1-oxobutan-2-yl]carbamate?
tert-butyl N-[(2S,3S)-1-[(4S)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]-4,4,4-trifluoro-3-methyl-1-oxobutan-2-yl]carbamate has a molecular weight of 430.42 g/mol, XLogP of 3.67, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(2S,3S)-1-[(4S)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]-4,4,4-trifluoro-3-methyl-1-oxobutan-2-yl]carbamate is sourced from PubChem (CID 71475970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).