tert-butyl N-[(1S)-1-[4-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]-1,3-oxazol-2-yl]-5-(5-fluoro-3-hydroxy-2-oxo-1H-indol-3-yl)-1,3-oxazol-2-yl]-2,2-dimethylpropyl]carbamate

C31H43FN4O7Si — CID 146021258

IUPACtert-butyl N-[(1S)-1-[4-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]-1,3-oxazol-2-yl]-5-(5-fluoro-3-hydroxy-2-oxo-1H-indol-3-yl)-1,3-oxazol-2-yl]-2,2-dimethylpropyl]carbamate
SMILESCC(C)(C)OC(=O)N[C@H](c1nc(-c2nc(CO[Si](C)(C)C(C)(C)C)co2)c(C2(O)C(=O)Nc3ccc(F)cc32)o1)C(C)(C)C
InChIInChI=1S/C31H43FN4O7Si/c1-28(2,3)22(36-27(38)43-29(4,5)6)25-35-21(24-33-18(15-40-24)16-41-44(10,11)30(7,8)9)23(42-25)31(39)19-14-17(32)12-13-20(19)34-26(31)37/h12-15,22,39H,16H2,1-11H3,(H,34,37)(H,36,38)/t22-,31?/m1/s1
InChIKeyUTGRTYIQRQVNRR-HJZHLRNFSA-N
MW630.79 g/mol
LogP6.79
Rot. Bonds7

About tert-butyl N-[(1S)-1-[4-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]-1,3-oxazol-2-yl]-5-(5-fluoro-3-hydroxy-2-oxo-1H-indol-3-yl)-1,3-oxazol-2-yl]-2,2-dimethylpropyl]carbamate

tert-butyl N-[(1S)-1-[4-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]-1,3-oxazol-2-yl]-5-(5-fluoro-3-hydroxy-2-oxo-1H-indol-3-yl)-1,3-oxazol-2-yl]-2,2-dimethylpropyl]carbamate (PubChem CID 146021258) has the molecular formula C31H43FN4O7Si and a molecular weight of 630.79 g/mol. Its IUPAC name is tert-butyl N-[(1S)-1-[4-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]-1,3-oxazol-2-yl]-5-(5-fluoro-3-hydroxy-2-oxo-1H-indol-3-yl)-1,3-oxazol-2-yl]-2,2-dimethylpropyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(1S)-1-[4-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]-1,3-oxazol-2-yl]-5-(5-fluoro-3-hydroxy-2-oxo-1H-indol-3-yl)-1,3-oxazol-2-yl]-2,2-dimethylpropyl]carbamate
PubChem CID146021258
Molecular FormulaC31H43FN4O7Si
Molecular Weight630.79 g/mol
Exact Mass630.29
IUPAC Nametert-butyl N-[(1S)-1-[4-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]-1,3-oxazol-2-yl]-5-(5-fluoro-3-hydroxy-2-oxo-1H-indol-3-yl)-1,3-oxazol-2-yl]-2,2-dimethylpropyl]carbamate
SMILESCC(C)(C)OC(=O)N[C@H](c1nc(-c2nc(CO[Si](C)(C)C(C)(C)C)co2)c(C2(O)C(=O)Nc3ccc(F)cc32)o1)C(C)(C)C
InChIInChI=1S/C31H43FN4O7Si/c1-28(2,3)22(36-27(38)43-29(4,5)6)25-35-21(24-33-18(15-40-24)16-41-44(10,11)30(7,8)9)23(42-25)31(39)19-14-17(32)12-13-20(19)34-26(31)37/h12-15,22,39H,16H2,1-11H3,(H,34,37)(H,36,38)/t22-,31?/m1/s1
InChIKeyUTGRTYIQRQVNRR-HJZHLRNFSA-N
XLogP6.79
TPSA148.95 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500630.79
LogP ≤ 56.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

Analyze tert-butyl N-[(1S)-1-[4-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]-1,3-oxazol-2-yl]-5-(5-fluoro-3-hydroxy-2-oxo-1H-indol-3-yl)-1,3-oxazol-2-yl]-2,2-dimethylpropyl]carbamate with MolForge

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(1S)-1-[4-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]-1,3-oxazol-2-yl]-5-(5-fluoro-3-hydroxy-2-oxo-1H-indol-3-yl)-1,3-oxazol-2-yl]-2,2-dimethylpropyl]carbamate?
The IUPAC name of tert-butyl N-[(1S)-1-[4-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]-1,3-oxazol-2-yl]-5-(5-fluoro-3-hydroxy-2-oxo-1H-indol-3-yl)-1,3-oxazol-2-yl]-2,2-dimethylpropyl]carbamate (CID 146021258) is tert-butyl N-[(1S)-1-[4-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]-1,3-oxazol-2-yl]-5-(5-fluoro-3-hydroxy-2-oxo-1H-indol-3-yl)-1,3-oxazol-2-yl]-2,2-dimethylpropyl]carbamate.
What is the SMILES notation for tert-butyl N-[(1S)-1-[4-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]-1,3-oxazol-2-yl]-5-(5-fluoro-3-hydroxy-2-oxo-1H-indol-3-yl)-1,3-oxazol-2-yl]-2,2-dimethylpropyl]carbamate?
The canonical SMILES for tert-butyl N-[(1S)-1-[4-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]-1,3-oxazol-2-yl]-5-(5-fluoro-3-hydroxy-2-oxo-1H-indol-3-yl)-1,3-oxazol-2-yl]-2,2-dimethylpropyl]carbamate is CC(C)(C)OC(=O)N[C@H](c1nc(-c2nc(CO[Si](C)(C)C(C)(C)C)co2)c(C2(O)C(=O)Nc3ccc(F)cc32)o1)C(C)(C)C.
What is the InChIKey of tert-butyl N-[(1S)-1-[4-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]-1,3-oxazol-2-yl]-5-(5-fluoro-3-hydroxy-2-oxo-1H-indol-3-yl)-1,3-oxazol-2-yl]-2,2-dimethylpropyl]carbamate?
The InChIKey is UTGRTYIQRQVNRR-HJZHLRNFSA-N. The full InChI is InChI=1S/C31H43FN4O7Si/c1-28(2,3)22(36-27(38)43-29(4,5)6)25-35-21(24-33-18(15-40-24)16-41-44(10,11)30(7,8)9)23(42-25)31(39)19-14-17(32)12-13-20(19)34-26(31)37/h12-15,22,39H,16H2,1-11H3,(H,34,37)(H,36,38)/t22-,31?/m1/s1.
What are the key properties of tert-butyl N-[(1S)-1-[4-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]-1,3-oxazol-2-yl]-5-(5-fluoro-3-hydroxy-2-oxo-1H-indol-3-yl)-1,3-oxazol-2-yl]-2,2-dimethylpropyl]carbamate?
tert-butyl N-[(1S)-1-[4-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]-1,3-oxazol-2-yl]-5-(5-fluoro-3-hydroxy-2-oxo-1H-indol-3-yl)-1,3-oxazol-2-yl]-2,2-dimethylpropyl]carbamate has a molecular weight of 630.79 g/mol, XLogP of 6.79, 7 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(1S)-1-[4-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]-1,3-oxazol-2-yl]-5-(5-fluoro-3-hydroxy-2-oxo-1H-indol-3-yl)-1,3-oxazol-2-yl]-2,2-dimethylpropyl]carbamate is sourced from PubChem (CID 146021258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).