tert-butyl N-[[3-[1-(1-fluoropropan-2-yl)-2-oxo-3H-indol-5-yl]-2-oxo-1,3-oxazolidin-5-yl]methyl]carbamate

C20H26FN3O5 — CID 69316731

IUPACtert-butyl N-[[3-[1-(1-fluoropropan-2-yl)-2-oxo-3H-indol-5-yl]-2-oxo-1,3-oxazolidin-5-yl]methyl]carbamate
SMILESCC(CF)N1C(=O)Cc2cc(N3CC(CNC(=O)OC(C)(C)C)OC3=O)ccc21
InChIInChI=1S/C20H26FN3O5/c1-12(9-21)24-16-6-5-14(7-13(16)8-17(24)25)23-11-15(28-19(23)27)10-22-18(26)29-20(2,3)4/h5-7,12,15H,8-11H2,1-4H3,(H,22,26)
InChIKeyZUPPHOQHPOLCIQ-UHFFFAOYSA-N
MW407.44 g/mol
LogP2.78
Rot. Bonds5

About tert-butyl N-[[3-[1-(1-fluoropropan-2-yl)-2-oxo-3H-indol-5-yl]-2-oxo-1,3-oxazolidin-5-yl]methyl]carbamate

tert-butyl N-[[3-[1-(1-fluoropropan-2-yl)-2-oxo-3H-indol-5-yl]-2-oxo-1,3-oxazolidin-5-yl]methyl]carbamate (PubChem CID 69316731) has the molecular formula C20H26FN3O5 and a molecular weight of 407.44 g/mol. Its IUPAC name is tert-butyl N-[[3-[1-(1-fluoropropan-2-yl)-2-oxo-3H-indol-5-yl]-2-oxo-1,3-oxazolidin-5-yl]methyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[[3-[1-(1-fluoropropan-2-yl)-2-oxo-3H-indol-5-yl]-2-oxo-1,3-oxazolidin-5-yl]methyl]carbamate
PubChem CID69316731
Molecular FormulaC20H26FN3O5
Molecular Weight407.44 g/mol
Exact Mass407.19
IUPAC Nametert-butyl N-[[3-[1-(1-fluoropropan-2-yl)-2-oxo-3H-indol-5-yl]-2-oxo-1,3-oxazolidin-5-yl]methyl]carbamate
SMILESCC(CF)N1C(=O)Cc2cc(N3CC(CNC(=O)OC(C)(C)C)OC3=O)ccc21
InChIInChI=1S/C20H26FN3O5/c1-12(9-21)24-16-6-5-14(7-13(16)8-17(24)25)23-11-15(28-19(23)27)10-22-18(26)29-20(2,3)4/h5-7,12,15H,8-11H2,1-4H3,(H,22,26)
InChIKeyZUPPHOQHPOLCIQ-UHFFFAOYSA-N
XLogP2.78
TPSA88.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.44
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

tert-butyl N-[[(5S)-3-(4-bromo-3-fluorophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]carbamate
CID 67539880
tert-butyl N-[(2S)-3-[[1-(1-fluoropropan-2-yl)-2-oxo-3H-indol-5-yl]amino]-2-hydroxypropyl]carbamate
CID 69316629
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
tert-butyl N-[[(5S)-3-(3-fluoro-4-piperazin-1-ylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]carbamate;formaldehyde
CID 91500548
tert-butyl N-[[3-(7-fluoro-2-oxo-1-propyl-3H-indol-5-yl)-2-oxo-1,3-oxazolidin-5-yl]methyl]carbamate
CID 69274123
tert-butyl N-[[(5S)-3-(7-fluoro-2-oxo-1-propyl-3H-indol-5-yl)-2-oxo-1,3-oxazolidin-5-yl]methyl]carbamate
CID 69274119
tert-butyl N-[4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]carbamate
CID 139949494
N-[[3-[1-(2-fluoroethyl)-2-oxo-3H-indol-5-yl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 72572015
tert-butyl N-[[3-[3-fluoro-4-[4-(2-methylsulfanylacetyl)piperazin-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]carbamate
CID 72519228
tert-butyl N-[[(5S)-3-[4-[4-[(5S)-5-[(dimethylamino)methyl]-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]carbamate
CID 10053177
tert-butyl N-[2-[[3-[3-fluoro-4-[4-(oxetan-3-yl)piperazin-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methylamino]-2-oxoethyl]carbamate
CID 174280642
tert-butyl 3-[4-[5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]-3-azabicyclo[3.1.0]hexane-6-carboxylate
CID 20771012

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[[3-[1-(1-fluoropropan-2-yl)-2-oxo-3H-indol-5-yl]-2-oxo-1,3-oxazolidin-5-yl]methyl]carbamate?
The IUPAC name of tert-butyl N-[[3-[1-(1-fluoropropan-2-yl)-2-oxo-3H-indol-5-yl]-2-oxo-1,3-oxazolidin-5-yl]methyl]carbamate (CID 69316731) is tert-butyl N-[[3-[1-(1-fluoropropan-2-yl)-2-oxo-3H-indol-5-yl]-2-oxo-1,3-oxazolidin-5-yl]methyl]carbamate.
What is the SMILES notation for tert-butyl N-[[3-[1-(1-fluoropropan-2-yl)-2-oxo-3H-indol-5-yl]-2-oxo-1,3-oxazolidin-5-yl]methyl]carbamate?
The canonical SMILES for tert-butyl N-[[3-[1-(1-fluoropropan-2-yl)-2-oxo-3H-indol-5-yl]-2-oxo-1,3-oxazolidin-5-yl]methyl]carbamate is CC(CF)N1C(=O)Cc2cc(N3CC(CNC(=O)OC(C)(C)C)OC3=O)ccc21.
What is the InChIKey of tert-butyl N-[[3-[1-(1-fluoropropan-2-yl)-2-oxo-3H-indol-5-yl]-2-oxo-1,3-oxazolidin-5-yl]methyl]carbamate?
The InChIKey is ZUPPHOQHPOLCIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26FN3O5/c1-12(9-21)24-16-6-5-14(7-13(16)8-17(24)25)23-11-15(28-19(23)27)10-22-18(26)29-20(2,3)4/h5-7,12,15H,8-11H2,1-4H3,(H,22,26).
What are the key properties of tert-butyl N-[[3-[1-(1-fluoropropan-2-yl)-2-oxo-3H-indol-5-yl]-2-oxo-1,3-oxazolidin-5-yl]methyl]carbamate?
tert-butyl N-[[3-[1-(1-fluoropropan-2-yl)-2-oxo-3H-indol-5-yl]-2-oxo-1,3-oxazolidin-5-yl]methyl]carbamate has a molecular weight of 407.44 g/mol, XLogP of 2.78, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[[3-[1-(1-fluoropropan-2-yl)-2-oxo-3H-indol-5-yl]-2-oxo-1,3-oxazolidin-5-yl]methyl]carbamate is sourced from PubChem (CID 69316731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).