2-[(4S)-4-tert-butyl-2-oxo-1,3-oxazolidin-3-yl]acetyl chloride

C9H14ClNO3 — CID 10751371

IUPAC2-[(4S)-4-tert-butyl-2-oxo-1,3-oxazolidin-3-yl]acetyl chloride
SMILESCC(C)(C)[C@H]1COC(=O)N1CC(=O)Cl
InChIInChI=1S/C9H14ClNO3/c1-9(2,3)6-5-14-8(13)11(6)4-7(10)12/h6H,4-5H2,1-3H3/t6-/m1/s1
InChIKeyJFJSHKAVZLINBI-ZCFIWIBFSA-N
MW219.67 g/mol
LogP1.62
Rot. Bonds2

About 2-[(4S)-4-tert-butyl-2-oxo-1,3-oxazolidin-3-yl]acetyl chloride

2-[(4S)-4-tert-butyl-2-oxo-1,3-oxazolidin-3-yl]acetyl chloride (PubChem CID 10751371) has the molecular formula C9H14ClNO3 and a molecular weight of 219.67 g/mol. Its IUPAC name is 2-[(4S)-4-tert-butyl-2-oxo-1,3-oxazolidin-3-yl]acetyl chloride.

Molecular Properties

Compound Name2-[(4S)-4-tert-butyl-2-oxo-1,3-oxazolidin-3-yl]acetyl chloride
PubChem CID10751371
Molecular FormulaC9H14ClNO3
Molecular Weight219.67 g/mol
Exact Mass219.07
IUPAC Name2-[(4S)-4-tert-butyl-2-oxo-1,3-oxazolidin-3-yl]acetyl chloride
SMILESCC(C)(C)[C@H]1COC(=O)N1CC(=O)Cl
InChIInChI=1S/C9H14ClNO3/c1-9(2,3)6-5-14-8(13)11(6)4-7(10)12/h6H,4-5H2,1-3H3/t6-/m1/s1
InChIKeyJFJSHKAVZLINBI-ZCFIWIBFSA-N
XLogP1.62
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.67
LogP ≤ 51.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acid_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[(4S)-4-tert-butyl-2-oxo-1,3-oxazolidin-3-yl]acetyl chloride?
The IUPAC name of 2-[(4S)-4-tert-butyl-2-oxo-1,3-oxazolidin-3-yl]acetyl chloride (CID 10751371) is 2-[(4S)-4-tert-butyl-2-oxo-1,3-oxazolidin-3-yl]acetyl chloride.
What is the SMILES notation for 2-[(4S)-4-tert-butyl-2-oxo-1,3-oxazolidin-3-yl]acetyl chloride?
The canonical SMILES for 2-[(4S)-4-tert-butyl-2-oxo-1,3-oxazolidin-3-yl]acetyl chloride is CC(C)(C)[C@H]1COC(=O)N1CC(=O)Cl.
What is the InChIKey of 2-[(4S)-4-tert-butyl-2-oxo-1,3-oxazolidin-3-yl]acetyl chloride?
The InChIKey is JFJSHKAVZLINBI-ZCFIWIBFSA-N. The full InChI is InChI=1S/C9H14ClNO3/c1-9(2,3)6-5-14-8(13)11(6)4-7(10)12/h6H,4-5H2,1-3H3/t6-/m1/s1.
What are the key properties of 2-[(4S)-4-tert-butyl-2-oxo-1,3-oxazolidin-3-yl]acetyl chloride?
2-[(4S)-4-tert-butyl-2-oxo-1,3-oxazolidin-3-yl]acetyl chloride has a molecular weight of 219.67 g/mol, XLogP of 1.62, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4S)-4-tert-butyl-2-oxo-1,3-oxazolidin-3-yl]acetyl chloride is sourced from PubChem (CID 10751371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).