ethyl-[2-[methanidyl-[[3-(4-methylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]amino]ethyl]azanide;uranium(2+)

C16H23N3O2U — CID 23383620

IUPACethyl-[2-[methanidyl-[[3-(4-methylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]amino]ethyl]azanide;uranium(2+)
SMILES[CH2-]N(CC[N-]CC)CC1CN(c2ccc(C)cc2)C(=O)O1.[U+2]
InChIInChI=1S/C16H23N3O2.U/c1-4-17-9-10-18(3)11-15-12-19(16(20)21-15)14-7-5-13(2)6-8-14;/h5-8,15H,3-4,9-12H2,1-2H3;/q-2;+2
InChIKeyNZBJIZZPPMPNDJ-UHFFFAOYSA-N
MW527.41 g/mol
LogP2.81
Rot. Bonds7

About ethyl-[2-[methanidyl-[[3-(4-methylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]amino]ethyl]azanide;uranium(2+)

ethyl-[2-[methanidyl-[[3-(4-methylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]amino]ethyl]azanide;uranium(2+) (PubChem CID 23383620) has the molecular formula C16H23N3O2U and a molecular weight of 527.41 g/mol. Its IUPAC name is ethyl-[2-[methanidyl-[[3-(4-methylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]amino]ethyl]azanide;uranium(2+).

Molecular Properties

Compound Nameethyl-[2-[methanidyl-[[3-(4-methylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]amino]ethyl]azanide;uranium(2+)
PubChem CID23383620
Molecular FormulaC16H23N3O2U
Molecular Weight527.41 g/mol
Exact Mass527.23
IUPAC Nameethyl-[2-[methanidyl-[[3-(4-methylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]amino]ethyl]azanide;uranium(2+)
SMILES[CH2-]N(CC[N-]CC)CC1CN(c2ccc(C)cc2)C(=O)O1.[U+2]
InChIInChI=1S/C16H23N3O2.U/c1-4-17-9-10-18(3)11-15-12-19(16(20)21-15)14-7-5-13(2)6-8-14;/h5-8,15H,3-4,9-12H2,1-2H3;/q-2;+2
InChIKeyNZBJIZZPPMPNDJ-UHFFFAOYSA-N
XLogP2.81
TPSA46.88 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500527.41
LogP ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

Analyze ethyl-[2-[methanidyl-[[3-(4-methylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]amino]ethyl]azanide;uranium(2+) with MolForge

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Related Compounds

5-[[2-(ethylamino)ethyl-methylamino]methyl]-3-(4-methylphenyl)-1,3-oxazolidin-2-one
CID 23383621
(5S)-5-(bromomethyl)-3-(4-methylphenyl)-1,3-oxazolidin-2-one
CID 95564147
5-(azidomethyl)-3-(4-methylphenyl)-1,3-oxazolidin-2-one
CID 58239154
N-[[3-(4-methylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]propanamide
CID 16920543
N-[[3-(4-methylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]butane-1-sulfonamide
CID 110327870
3-(4-chlorophenyl)-5-[(4-methylphenoxy)methyl]-1,3-oxazolidin-2-one
CID 629049
2-methyl-N-[[3-(4-methylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]propanamide
CID 16920545
N-[[3-(4-methylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-4-(trifluoromethyl)benzamide
CID 16920617
2-(4-methylphenoxy)-N-[[3-(4-methylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 16920637
5-(hydroxymethyl)-3-(4-phenylphenyl)-1,3-oxazolidin-2-one;4-methylbenzenesulfonic acid
CID 19788088
N-[4-[(5R)-5-(aminomethyl)-2-oxo-1,3-oxazolidin-3-yl]phenyl]-N-(2-hydroxyethyl)propanamide
CID 163491524
2,6-difluoro-N-[[(5R)-3-(4-methylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]benzamide
CID 51451946

Frequently Asked Questions

What is the IUPAC name of ethyl-[2-[methanidyl-[[3-(4-methylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]amino]ethyl]azanide;uranium(2+)?
The IUPAC name of ethyl-[2-[methanidyl-[[3-(4-methylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]amino]ethyl]azanide;uranium(2+) (CID 23383620) is ethyl-[2-[methanidyl-[[3-(4-methylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]amino]ethyl]azanide;uranium(2+).
What is the SMILES notation for ethyl-[2-[methanidyl-[[3-(4-methylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]amino]ethyl]azanide;uranium(2+)?
The canonical SMILES for ethyl-[2-[methanidyl-[[3-(4-methylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]amino]ethyl]azanide;uranium(2+) is [CH2-]N(CC[N-]CC)CC1CN(c2ccc(C)cc2)C(=O)O1.[U+2].
What is the InChIKey of ethyl-[2-[methanidyl-[[3-(4-methylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]amino]ethyl]azanide;uranium(2+)?
The InChIKey is NZBJIZZPPMPNDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O2.U/c1-4-17-9-10-18(3)11-15-12-19(16(20)21-15)14-7-5-13(2)6-8-14;/h5-8,15H,3-4,9-12H2,1-2H3;/q-2;+2.
What are the key properties of ethyl-[2-[methanidyl-[[3-(4-methylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]amino]ethyl]azanide;uranium(2+)?
ethyl-[2-[methanidyl-[[3-(4-methylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]amino]ethyl]azanide;uranium(2+) has a molecular weight of 527.41 g/mol, XLogP of 2.81, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl-[2-[methanidyl-[[3-(4-methylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]amino]ethyl]azanide;uranium(2+) is sourced from PubChem (CID 23383620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).