dioxorhenium;bis((4S)-4-ethyl-2-[(4S)-4-ethyl-4,5-dihydro-1,3-oxazol-2-yl]-4,5-dihydro-1,3-oxazole)

C20H32N4O6Re — CID 58936995

IUPACdioxorhenium;bis((4S)-4-ethyl-2-[(4S)-4-ethyl-4,5-dihydro-1,3-oxazol-2-yl]-4,5-dihydro-1,3-oxazole)
SMILESCC[C@H]1COC(C2=N[C@@H](CC)CO2)=N1.CC[C@H]1COC(C2=N[C@@H](CC)CO2)=N1.O=[Re]=O
InChIInChI=1S/2C10H16N2O2.2O.Re/c2*1-3-7-5-13-9(11-7)10-12-8(4-2)6-14-10;;;/h2*7-8H,3-6H2,1-2H3;;;/t2*7-,8-;;;/m00.../s1
InChIKeyJGGYWYRMOLGZOC-BWNHCBIESA-N
MW610.71 g/mol
LogP2.56
Rot. Bonds6

About dioxorhenium;bis((4S)-4-ethyl-2-[(4S)-4-ethyl-4,5-dihydro-1,3-oxazol-2-yl]-4,5-dihydro-1,3-oxazole)

dioxorhenium;bis((4S)-4-ethyl-2-[(4S)-4-ethyl-4,5-dihydro-1,3-oxazol-2-yl]-4,5-dihydro-1,3-oxazole) (PubChem CID 58936995) has the molecular formula C20H32N4O6Re and a molecular weight of 610.71 g/mol. Its IUPAC name is dioxorhenium;bis((4S)-4-ethyl-2-[(4S)-4-ethyl-4,5-dihydro-1,3-oxazol-2-yl]-4,5-dihydro-1,3-oxazole).

Molecular Properties

Compound Namedioxorhenium;bis((4S)-4-ethyl-2-[(4S)-4-ethyl-4,5-dihydro-1,3-oxazol-2-yl]-4,5-dihydro-1,3-oxazole)
PubChem CID58936995
Molecular FormulaC20H32N4O6Re
Molecular Weight610.71 g/mol
Exact Mass611.19
IUPAC Namedioxorhenium;bis((4S)-4-ethyl-2-[(4S)-4-ethyl-4,5-dihydro-1,3-oxazol-2-yl]-4,5-dihydro-1,3-oxazole)
SMILESCC[C@H]1COC(C2=N[C@@H](CC)CO2)=N1.CC[C@H]1COC(C2=N[C@@H](CC)CO2)=N1.O=[Re]=O
InChIInChI=1S/2C10H16N2O2.2O.Re/c2*1-3-7-5-13-9(11-7)10-12-8(4-2)6-14-10;;;/h2*7-8H,3-6H2,1-2H3;;;/t2*7-,8-;;;/m00.../s1
InChIKeyJGGYWYRMOLGZOC-BWNHCBIESA-N
XLogP2.56
TPSA120.50 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500610.71
LogP ≤ 52.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

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Frequently Asked Questions

What is the IUPAC name of dioxorhenium;bis((4S)-4-ethyl-2-[(4S)-4-ethyl-4,5-dihydro-1,3-oxazol-2-yl]-4,5-dihydro-1,3-oxazole)?
The IUPAC name of dioxorhenium;bis((4S)-4-ethyl-2-[(4S)-4-ethyl-4,5-dihydro-1,3-oxazol-2-yl]-4,5-dihydro-1,3-oxazole) (CID 58936995) is dioxorhenium;bis((4S)-4-ethyl-2-[(4S)-4-ethyl-4,5-dihydro-1,3-oxazol-2-yl]-4,5-dihydro-1,3-oxazole).
What is the SMILES notation for dioxorhenium;bis((4S)-4-ethyl-2-[(4S)-4-ethyl-4,5-dihydro-1,3-oxazol-2-yl]-4,5-dihydro-1,3-oxazole)?
The canonical SMILES for dioxorhenium;bis((4S)-4-ethyl-2-[(4S)-4-ethyl-4,5-dihydro-1,3-oxazol-2-yl]-4,5-dihydro-1,3-oxazole) is CC[C@H]1COC(C2=N[C@@H](CC)CO2)=N1.CC[C@H]1COC(C2=N[C@@H](CC)CO2)=N1.O=[Re]=O.
What is the InChIKey of dioxorhenium;bis((4S)-4-ethyl-2-[(4S)-4-ethyl-4,5-dihydro-1,3-oxazol-2-yl]-4,5-dihydro-1,3-oxazole)?
The InChIKey is JGGYWYRMOLGZOC-BWNHCBIESA-N. The full InChI is InChI=1S/2C10H16N2O2.2O.Re/c2*1-3-7-5-13-9(11-7)10-12-8(4-2)6-14-10;;;/h2*7-8H,3-6H2,1-2H3;;;/t2*7-,8-;;;/m00.../s1.
What are the key properties of dioxorhenium;bis((4S)-4-ethyl-2-[(4S)-4-ethyl-4,5-dihydro-1,3-oxazol-2-yl]-4,5-dihydro-1,3-oxazole)?
dioxorhenium;bis((4S)-4-ethyl-2-[(4S)-4-ethyl-4,5-dihydro-1,3-oxazol-2-yl]-4,5-dihydro-1,3-oxazole) has a molecular weight of 610.71 g/mol, XLogP of 2.56, 6 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for dioxorhenium;bis((4S)-4-ethyl-2-[(4S)-4-ethyl-4,5-dihydro-1,3-oxazol-2-yl]-4,5-dihydro-1,3-oxazole) is sourced from PubChem (CID 58936995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).