tert-butyl N-[[(5S)-3-(1-ethyl-7-fluoro-2-oxo-3H-indol-5-yl)-2-oxo-1,3-oxazolidin-5-yl]methyl]carbamate;carbonyl dichloride

About tert-butyl N-[[(5S)-3-(1-ethyl-7-fluoro-2-oxo-3H-indol-5-yl)-2-oxo-1,3-oxazolidin-5-yl]methyl]carbamate;carbonyl dichloride

tert-butyl N-[[(5S)-3-(1-ethyl-7-fluoro-2-oxo-3H-indol-5-yl)-2-oxo-1,3-oxazolidin-5-yl]methyl]carbamate;carbonyl dichloride (PubChem CID 159109703) has the molecular formula C20H24Cl2FN3O6 and a molecular weight of 492.33 g/mol. Its IUPAC name is tert-butyl N-[[(5S)-3-(1-ethyl-7-fluoro-2-oxo-3H-indol-5-yl)-2-oxo-1,3-oxazolidin-5-yl]methyl]carbamate;carbonyl dichloride.

Molecular Properties

Compound Name	tert-butyl N-[[(5S)-3-(1-ethyl-7-fluoro-2-oxo-3H-indol-5-yl)-2-oxo-1,3-oxazolidin-5-yl]methyl]carbamate;carbonyl dichloride
PubChem CID	159109703
Molecular Formula	C20H24Cl2FN3O6
Molecular Weight	492.33 g/mol
Exact Mass	491.10
IUPAC Name	tert-butyl N-[[(5S)-3-(1-ethyl-7-fluoro-2-oxo-3H-indol-5-yl)-2-oxo-1,3-oxazolidin-5-yl]methyl]carbamate;carbonyl dichloride
SMILES	CCN1C(=O)Cc2cc(N3C[C@H](CNC(=O)OC(C)(C)C)OC3=O)cc(F)c21.O=C(Cl)Cl
InChI	InChI=1S/C19H24FN3O5.CCl2O/c1-5-22-15(24)7-11-6-12(8-14(20)16(11)22)23-10-13(27-18(23)26)9-21-17(25)28-19(2,3)4;2-1(3)4/h6,8,13H,5,7,9-10H2,1-4H3,(H,21,25);/t13-;/m0./s1
InChIKey	KEIIOKXOKJWFAI-ZOWNYOTGSA-N
XLogP	4.17
TPSA	105.25 Å²
H-Bond Donors	1
H-Bond Acceptors	6
Rotatable Bonds	4
Heavy Atoms	32
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	492.33
LogP ≤ 5	4.17
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Related Compounds

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[[(5S)-3-(1-ethyl-7-fluoro-2-oxo-3H-indol-5-yl)-2-oxo-1,3-oxazolidin-5-yl]methyl]carbamate;carbonyl dichloride?

The IUPAC name of tert-butyl N-[[(5S)-3-(1-ethyl-7-fluoro-2-oxo-3H-indol-5-yl)-2-oxo-1,3-oxazolidin-5-yl]methyl]carbamate;carbonyl dichloride (CID 159109703) is tert-butyl N-[[(5S)-3-(1-ethyl-7-fluoro-2-oxo-3H-indol-5-yl)-2-oxo-1,3-oxazolidin-5-yl]methyl]carbamate;carbonyl dichloride.

What is the SMILES notation for tert-butyl N-[[(5S)-3-(1-ethyl-7-fluoro-2-oxo-3H-indol-5-yl)-2-oxo-1,3-oxazolidin-5-yl]methyl]carbamate;carbonyl dichloride?

The canonical SMILES for tert-butyl N-[[(5S)-3-(1-ethyl-7-fluoro-2-oxo-3H-indol-5-yl)-2-oxo-1,3-oxazolidin-5-yl]methyl]carbamate;carbonyl dichloride is CCN1C(=O)Cc2cc(N3C[C@H](CNC(=O)OC(C)(C)C)OC3=O)cc(F)c21.O=C(Cl)Cl.

What is the InChIKey of tert-butyl N-[[(5S)-3-(1-ethyl-7-fluoro-2-oxo-3H-indol-5-yl)-2-oxo-1,3-oxazolidin-5-yl]methyl]carbamate;carbonyl dichloride?

The InChIKey is KEIIOKXOKJWFAI-ZOWNYOTGSA-N. The full InChI is InChI=1S/C19H24FN3O5.CCl2O/c1-5-22-15(24)7-11-6-12(8-14(20)16(11)22)23-10-13(27-18(23)26)9-21-17(25)28-19(2,3)4;2-1(3)4/h6,8,13H,5,7,9-10H2,1-4H3,(H,21,25);/t13-;/m0./s1.

What are the key properties of tert-butyl N-[[(5S)-3-(1-ethyl-7-fluoro-2-oxo-3H-indol-5-yl)-2-oxo-1,3-oxazolidin-5-yl]methyl]carbamate;carbonyl dichloride?

tert-butyl N-[[(5S)-3-(1-ethyl-7-fluoro-2-oxo-3H-indol-5-yl)-2-oxo-1,3-oxazolidin-5-yl]methyl]carbamate;carbonyl dichloride has a molecular weight of 492.33 g/mol, XLogP of 4.17, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl N-[[(5S)-3-(1-ethyl-7-fluoro-2-oxo-3H-indol-5-yl)-2-oxo-1,3-oxazolidin-5-yl]methyl]carbamate;carbonyl dichloride is sourced from PubChem (CID 159109703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).