(5R)-5-(3-methanidyl-4-propan-2-yloxyphenyl)-1,3-oxazolidin-2-one;uranium(2+)

C13H15NO3U — CID 147160097

IUPAC(5R)-5-(3-methanidyl-4-propan-2-yloxyphenyl)-1,3-oxazolidin-2-one;uranium(2+)
SMILES[CH2-]c1cc([C@@H]2CNC(=O)O2)ccc1O[C-](C)C.[U+2]
InChIInChI=1S/C13H15NO3.U/c1-8(2)16-11-5-4-10(6-9(11)3)12-7-14-13(15)17-12;/h4-6,12H,3,7H2,1-2H3,(H,14,15);/q-2;+2/t12-;/m0./s1
InChIKeyPITCLQPCCWOQLZ-YDALLXLXSA-N
MW471.30 g/mol
LogP2.60
Rot. Bonds3

About (5R)-5-(3-methanidyl-4-propan-2-yloxyphenyl)-1,3-oxazolidin-2-one;uranium(2+)

(5R)-5-(3-methanidyl-4-propan-2-yloxyphenyl)-1,3-oxazolidin-2-one;uranium(2+) (PubChem CID 147160097) has the molecular formula C13H15NO3U and a molecular weight of 471.30 g/mol. Its IUPAC name is (5R)-5-(3-methanidyl-4-propan-2-yloxyphenyl)-1,3-oxazolidin-2-one;uranium(2+).

Molecular Properties

Compound Name(5R)-5-(3-methanidyl-4-propan-2-yloxyphenyl)-1,3-oxazolidin-2-one;uranium(2+)
PubChem CID147160097
Molecular FormulaC13H15NO3U
Molecular Weight471.30 g/mol
Exact Mass471.16
IUPAC Name(5R)-5-(3-methanidyl-4-propan-2-yloxyphenyl)-1,3-oxazolidin-2-one;uranium(2+)
SMILES[CH2-]c1cc([C@@H]2CNC(=O)O2)ccc1O[C-](C)C.[U+2]
InChIInChI=1S/C13H15NO3.U/c1-8(2)16-11-5-4-10(6-9(11)3)12-7-14-13(15)17-12;/h4-6,12H,3,7H2,1-2H3,(H,14,15);/q-2;+2/t12-;/m0./s1
InChIKeyPITCLQPCCWOQLZ-YDALLXLXSA-N
XLogP2.60
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.30
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (5R)-5-(3-methanidyl-4-propan-2-yloxyphenyl)-1,3-oxazolidin-2-one;uranium(2+)?
The IUPAC name of (5R)-5-(3-methanidyl-4-propan-2-yloxyphenyl)-1,3-oxazolidin-2-one;uranium(2+) (CID 147160097) is (5R)-5-(3-methanidyl-4-propan-2-yloxyphenyl)-1,3-oxazolidin-2-one;uranium(2+).
What is the SMILES notation for (5R)-5-(3-methanidyl-4-propan-2-yloxyphenyl)-1,3-oxazolidin-2-one;uranium(2+)?
The canonical SMILES for (5R)-5-(3-methanidyl-4-propan-2-yloxyphenyl)-1,3-oxazolidin-2-one;uranium(2+) is [CH2-]c1cc([C@@H]2CNC(=O)O2)ccc1O[C-](C)C.[U+2].
What is the InChIKey of (5R)-5-(3-methanidyl-4-propan-2-yloxyphenyl)-1,3-oxazolidin-2-one;uranium(2+)?
The InChIKey is PITCLQPCCWOQLZ-YDALLXLXSA-N. The full InChI is InChI=1S/C13H15NO3.U/c1-8(2)16-11-5-4-10(6-9(11)3)12-7-14-13(15)17-12;/h4-6,12H,3,7H2,1-2H3,(H,14,15);/q-2;+2/t12-;/m0./s1.
What are the key properties of (5R)-5-(3-methanidyl-4-propan-2-yloxyphenyl)-1,3-oxazolidin-2-one;uranium(2+)?
(5R)-5-(3-methanidyl-4-propan-2-yloxyphenyl)-1,3-oxazolidin-2-one;uranium(2+) has a molecular weight of 471.30 g/mol, XLogP of 2.60, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5-(3-methanidyl-4-propan-2-yloxyphenyl)-1,3-oxazolidin-2-one;uranium(2+) is sourced from PubChem (CID 147160097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).