carbon monoxide;chromium;[(3S,5R)-2-methyl-3-phenyl-1,2-oxazolidin-5-yl] acetate

C15H15CrNO6 — CID 134899183

IUPACcarbon monoxide;chromium;[(3S,5R)-2-methyl-3-phenyl-1,2-oxazolidin-5-yl] acetate
SMILESCC(=O)O[C@H]1C[C@@H](c2ccccc2)N(C)O1.[C-]#[O+].[C-]#[O+].[C-]#[O+].[Cr]
InChIInChI=1S/C12H15NO3.3CO.Cr/c1-9(14)15-12-8-11(13(2)16-12)10-6-4-3-5-7-10;3*1-2;/h3-7,11-12H,8H2,1-2H3;;;;/t11-,12+;;;;/m0..../s1
InChIKeyGYTUMDBZPOKELR-QHSFPFIWSA-N
MW357.28 g/mol
LogP1.77
Rot. Bonds2

About carbon monoxide;chromium;[(3S,5R)-2-methyl-3-phenyl-1,2-oxazolidin-5-yl] acetate

carbon monoxide;chromium;[(3S,5R)-2-methyl-3-phenyl-1,2-oxazolidin-5-yl] acetate (PubChem CID 134899183) has the molecular formula C15H15CrNO6 and a molecular weight of 357.28 g/mol. Its IUPAC name is carbon monoxide;chromium;[(3S,5R)-2-methyl-3-phenyl-1,2-oxazolidin-5-yl] acetate.

Molecular Properties

Compound Namecarbon monoxide;chromium;[(3S,5R)-2-methyl-3-phenyl-1,2-oxazolidin-5-yl] acetate
PubChem CID134899183
Molecular FormulaC15H15CrNO6
Molecular Weight357.28 g/mol
Exact Mass357.03
IUPAC Namecarbon monoxide;chromium;[(3S,5R)-2-methyl-3-phenyl-1,2-oxazolidin-5-yl] acetate
SMILESCC(=O)O[C@H]1C[C@@H](c2ccccc2)N(C)O1.[C-]#[O+].[C-]#[O+].[C-]#[O+].[Cr]
InChIInChI=1S/C12H15NO3.3CO.Cr/c1-9(14)15-12-8-11(13(2)16-12)10-6-4-3-5-7-10;3*1-2;/h3-7,11-12H,8H2,1-2H3;;;;/t11-,12+;;;;/m0..../s1
InChIKeyGYTUMDBZPOKELR-QHSFPFIWSA-N
XLogP1.77
TPSA98.47 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.28
LogP ≤ 51.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(3S,5S)-5-ethoxy-2-methyl-3-phenyl-1,2-oxazolidine
CID 93504493
(3S,5R)-5-ethoxy-2-methyl-3-phenyl-1,2-oxazolidine
CID 93504494
(3S,5S)-2-benzyl-5-ethoxy-3-phenyl-1,2-oxazolidine
CID 100914315
(3S,5R)-2-benzyl-5-ethoxy-3-phenyl-1,2-oxazolidine
CID 100914316
carbon monoxide;chromium;(3S,5R)-5-ethoxy-2-methyl-3-phenyl-1,2-oxazolidine
CID 134899175
carbon monoxide;chromium;[2-[(3S,5R)-5-ethoxy-2-methyl-1,2-oxazolidin-3-yl]phenyl]-trimethylsilane
CID 134899199
3-(3,5-Difluorophenyl)-5-methoxy-2-(2,2,2-trifluoroethyl)-1,2-oxazolidine
CID 142725927
ethyl (3S,5S)-2-benzyl-5-ethoxy-1,2-oxazolidine-3-carboxylate
CID 10660312
ethyl (3R,5S)-2-benzyl-5-ethoxy-1,2-oxazolidine-3-carboxylate
CID 10779047
(3R,4S)-2,4-dimethyl-3-phenyl-1,2-oxazolidin-5-ol
CID 11041624
methyl (3S,5S)-2-benzyl-5-ethoxy-1,2-oxazolidine-3-carboxylate
CID 11832325
2-Methyl-3-phenyl-1,2-oxazolidin-5-ol
CID 15693095

Frequently Asked Questions

What is the IUPAC name of carbon monoxide;chromium;[(3S,5R)-2-methyl-3-phenyl-1,2-oxazolidin-5-yl] acetate?
The IUPAC name of carbon monoxide;chromium;[(3S,5R)-2-methyl-3-phenyl-1,2-oxazolidin-5-yl] acetate (CID 134899183) is carbon monoxide;chromium;[(3S,5R)-2-methyl-3-phenyl-1,2-oxazolidin-5-yl] acetate.
What is the SMILES notation for carbon monoxide;chromium;[(3S,5R)-2-methyl-3-phenyl-1,2-oxazolidin-5-yl] acetate?
The canonical SMILES for carbon monoxide;chromium;[(3S,5R)-2-methyl-3-phenyl-1,2-oxazolidin-5-yl] acetate is CC(=O)O[C@H]1C[C@@H](c2ccccc2)N(C)O1.[C-]#[O+].[C-]#[O+].[C-]#[O+].[Cr].
What is the InChIKey of carbon monoxide;chromium;[(3S,5R)-2-methyl-3-phenyl-1,2-oxazolidin-5-yl] acetate?
The InChIKey is GYTUMDBZPOKELR-QHSFPFIWSA-N. The full InChI is InChI=1S/C12H15NO3.3CO.Cr/c1-9(14)15-12-8-11(13(2)16-12)10-6-4-3-5-7-10;3*1-2;/h3-7,11-12H,8H2,1-2H3;;;;/t11-,12+;;;;/m0..../s1.
What are the key properties of carbon monoxide;chromium;[(3S,5R)-2-methyl-3-phenyl-1,2-oxazolidin-5-yl] acetate?
carbon monoxide;chromium;[(3S,5R)-2-methyl-3-phenyl-1,2-oxazolidin-5-yl] acetate has a molecular weight of 357.28 g/mol, XLogP of 1.77, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for carbon monoxide;chromium;[(3S,5R)-2-methyl-3-phenyl-1,2-oxazolidin-5-yl] acetate is sourced from PubChem (CID 134899183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).