ethane;5-[[ethyl-(propan-2-yldiazenyl)amino]methyl]-3-(3-fluoro-4-trimethylstannylphenyl)-1,3-oxazolidin-2-one

C20H35FN4O2Sn — CID 143143143

IUPACethane;5-[[ethyl-(propan-2-yldiazenyl)amino]methyl]-3-(3-fluoro-4-trimethylstannylphenyl)-1,3-oxazolidin-2-one
SMILESCC.CCN(CC1CN(c2ccc([Sn](C)(C)C)c(F)c2)C(=O)O1)/N=N/C(C)C
InChIInChI=1S/C15H20FN4O2.C2H6.3CH3.Sn/c1-4-19(18-17-11(2)3)9-14-10-20(15(21)22-14)13-7-5-6-12(16)8-13;1-2;;;;/h5,7-8,11,14H,4,9-10H2,1-3H3;1-2H3;3*1H3;/b18-17+;;;;;
InChIKeyCNFCFOZYQCZXAY-SOIHCWMDSA-N
MW501.24 g/mol
LogP4.82
Rot. Bonds7

About ethane;5-[[ethyl-(propan-2-yldiazenyl)amino]methyl]-3-(3-fluoro-4-trimethylstannylphenyl)-1,3-oxazolidin-2-one

ethane;5-[[ethyl-(propan-2-yldiazenyl)amino]methyl]-3-(3-fluoro-4-trimethylstannylphenyl)-1,3-oxazolidin-2-one (PubChem CID 143143143) has the molecular formula C20H35FN4O2Sn and a molecular weight of 501.24 g/mol. Its IUPAC name is ethane;5-[[ethyl-(propan-2-yldiazenyl)amino]methyl]-3-(3-fluoro-4-trimethylstannylphenyl)-1,3-oxazolidin-2-one.

Molecular Properties

Compound Nameethane;5-[[ethyl-(propan-2-yldiazenyl)amino]methyl]-3-(3-fluoro-4-trimethylstannylphenyl)-1,3-oxazolidin-2-one
PubChem CID143143143
Molecular FormulaC20H35FN4O2Sn
Molecular Weight501.24 g/mol
Exact Mass502.18
IUPAC Nameethane;5-[[ethyl-(propan-2-yldiazenyl)amino]methyl]-3-(3-fluoro-4-trimethylstannylphenyl)-1,3-oxazolidin-2-one
SMILESCC.CCN(CC1CN(c2ccc([Sn](C)(C)C)c(F)c2)C(=O)O1)/N=N/C(C)C
InChIInChI=1S/C15H20FN4O2.C2H6.3CH3.Sn/c1-4-19(18-17-11(2)3)9-14-10-20(15(21)22-14)13-7-5-6-12(16)8-13;1-2;;;;/h5,7-8,11,14H,4,9-10H2,1-3H3;1-2H3;3*1H3;/b18-17+;;;;;
InChIKeyCNFCFOZYQCZXAY-SOIHCWMDSA-N
XLogP4.82
TPSA57.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500501.24
LogP ≤ 54.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

5-[[ethyl-(ethyldiazenyl)amino]methyl]-3-(3-fluoro-4-imidazol-1-ylphenyl)-1,3-oxazolidin-2-one
CID 142276569
3-(3-fluoro-4-propan-2-ylphenyl)-5-(3-oxobutyl)-1,3-oxazolidin-2-one
CID 58277102
5-[[ethyl-(methylideneamino)amino]methyl]-3-[3-fluoro-4-[5-methyl-6-(1-oxo-1,4-thiazinan-4-yl)-3-pyridinyl]phenyl]-1,3-oxazolidin-2-one
CID 143415420
(5R)-3-[4-[(1R,5S)-6-(bromomethyl)-3-azabicyclo[3.1.0]hexan-3-yl]-3-fluorophenyl]-5-[tri(propan-2-yl)silyloxymethyl]-1,3-oxazolidin-2-one
CID 20788891
3-[3-fluoro-4-(5-methylimidazol-1-yl)phenyl]-5-(hydroxymethyl)-1,3-oxazolidin-2-one
CID 22996135
3-[3-fluoro-4-(3-methyl-1,2,4-triazol-1-yl)phenyl]-5-(hydroxymethyl)-1,3-oxazolidin-2-one
CID 76556203
(5R)-3-[4-(1-ethyl-5,6-dihydro-1,2,4-triazin-4-yl)-3-fluorophenyl]-5-(hydroxymethyl)-1,3-oxazolidin-2-one
CID 58361756
3-(3-fluoro-4-morpholin-4-ylphenyl)-5-(2-methylpropyl)-1,3-oxazolidin-2-one
CID 91473746
1-(dimethylamino)-1-[[(5S)-3-[3-fluoro-4-(4-methylsulfanylphenyl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]urea
CID 135351769
[3-[4-[ethyl(2-propan-2-yloxyethyl)amino]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methylphosphinous acid
CID 91354985
3-[4-(2,5-dihydropyrrol-1-yl)-3-fluorophenyl]-5-(hydroxymethyl)-1,3-oxazolidin-2-one
CID 123927196
[2-fluoro-4-[5-(hydroxymethyl)-2-oxo-1,3-oxazolidin-3-yl]phenyl]boronic acid;methane
CID 145042333

Frequently Asked Questions

What is the IUPAC name of ethane;5-[[ethyl-(propan-2-yldiazenyl)amino]methyl]-3-(3-fluoro-4-trimethylstannylphenyl)-1,3-oxazolidin-2-one?
The IUPAC name of ethane;5-[[ethyl-(propan-2-yldiazenyl)amino]methyl]-3-(3-fluoro-4-trimethylstannylphenyl)-1,3-oxazolidin-2-one (CID 143143143) is ethane;5-[[ethyl-(propan-2-yldiazenyl)amino]methyl]-3-(3-fluoro-4-trimethylstannylphenyl)-1,3-oxazolidin-2-one.
What is the SMILES notation for ethane;5-[[ethyl-(propan-2-yldiazenyl)amino]methyl]-3-(3-fluoro-4-trimethylstannylphenyl)-1,3-oxazolidin-2-one?
The canonical SMILES for ethane;5-[[ethyl-(propan-2-yldiazenyl)amino]methyl]-3-(3-fluoro-4-trimethylstannylphenyl)-1,3-oxazolidin-2-one is CC.CCN(CC1CN(c2ccc([Sn](C)(C)C)c(F)c2)C(=O)O1)/N=N/C(C)C.
What is the InChIKey of ethane;5-[[ethyl-(propan-2-yldiazenyl)amino]methyl]-3-(3-fluoro-4-trimethylstannylphenyl)-1,3-oxazolidin-2-one?
The InChIKey is CNFCFOZYQCZXAY-SOIHCWMDSA-N. The full InChI is InChI=1S/C15H20FN4O2.C2H6.3CH3.Sn/c1-4-19(18-17-11(2)3)9-14-10-20(15(21)22-14)13-7-5-6-12(16)8-13;1-2;;;;/h5,7-8,11,14H,4,9-10H2,1-3H3;1-2H3;3*1H3;/b18-17+;;;;;.
What are the key properties of ethane;5-[[ethyl-(propan-2-yldiazenyl)amino]methyl]-3-(3-fluoro-4-trimethylstannylphenyl)-1,3-oxazolidin-2-one?
ethane;5-[[ethyl-(propan-2-yldiazenyl)amino]methyl]-3-(3-fluoro-4-trimethylstannylphenyl)-1,3-oxazolidin-2-one has a molecular weight of 501.24 g/mol, XLogP of 4.82, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;5-[[ethyl-(propan-2-yldiazenyl)amino]methyl]-3-(3-fluoro-4-trimethylstannylphenyl)-1,3-oxazolidin-2-one is sourced from PubChem (CID 143143143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).