methane;(4S,5R)-4-methyl-5-phenyl-1,3-oxazolidin-2-one;(4S)-4-phenyl-1,3-oxazolidin-2-one;(4S,5R)-5-phenyl-4-propan-2-yl-1,3-oxazolidin-2-one;(4S)-4,5,5-triphenyl-1,3-oxazolidin-2-one

C56H68N4O8 — CID 159685196

IUPACmethane;(4S,5R)-4-methyl-5-phenyl-1,3-oxazolidin-2-one;(4S)-4-phenyl-1,3-oxazolidin-2-one;(4S,5R)-5-phenyl-4-propan-2-yl-1,3-oxazolidin-2-one;(4S)-4,5,5-triphenyl-1,3-oxazolidin-2-one
SMILESC.C.C.C.CC(C)[C@@H]1NC(=O)O[C@@H]1c1ccccc1.C[C@@H]1NC(=O)O[C@@H]1c1ccccc1.O=C1N[C@@H](c2ccccc2)C(c2ccccc2)(c2ccccc2)O1.O=C1N[C@@H](c2ccccc2)CO1
InChIInChI=1S/C21H17NO2.C12H15NO2.C10H11NO2.C9H9NO2.4CH4/c23-20-22-19(16-10-4-1-5-11-16)21(24-20,17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-8(2)10-11(15-12(14)13-10)9-6-4-3-5-7-9;1-7-9(13-10(12)11-7)8-5-3-2-4-6-8;11-9-10-8(6-12-9)7-4-2-1-3-5-7;;;;/h1-15,19H,(H,22,23);3-8,10-11H,1-2H3,(H,13,14);2-7,9H,1H3,(H,11,12);1-5,8H,6H2,(H,10,11);4*1H4/t19-;10-,11+;7-,9-;8-;;;;/m0001..../s1
InChIKeyMVRUZXVDHNUPDT-KWYHGPTLSA-N
MW925.18 g/mol
LogP12.77
Rot. Bonds7

About methane;(4S,5R)-4-methyl-5-phenyl-1,3-oxazolidin-2-one;(4S)-4-phenyl-1,3-oxazolidin-2-one;(4S,5R)-5-phenyl-4-propan-2-yl-1,3-oxazolidin-2-one;(4S)-4,5,5-triphenyl-1,3-oxazolidin-2-one

methane;(4S,5R)-4-methyl-5-phenyl-1,3-oxazolidin-2-one;(4S)-4-phenyl-1,3-oxazolidin-2-one;(4S,5R)-5-phenyl-4-propan-2-yl-1,3-oxazolidin-2-one;(4S)-4,5,5-triphenyl-1,3-oxazolidin-2-one (PubChem CID 159685196) has the molecular formula C56H68N4O8 and a molecular weight of 925.18 g/mol. Its IUPAC name is methane;(4S,5R)-4-methyl-5-phenyl-1,3-oxazolidin-2-one;(4S)-4-phenyl-1,3-oxazolidin-2-one;(4S,5R)-5-phenyl-4-propan-2-yl-1,3-oxazolidin-2-one;(4S)-4,5,5-triphenyl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Namemethane;(4S,5R)-4-methyl-5-phenyl-1,3-oxazolidin-2-one;(4S)-4-phenyl-1,3-oxazolidin-2-one;(4S,5R)-5-phenyl-4-propan-2-yl-1,3-oxazolidin-2-one;(4S)-4,5,5-triphenyl-1,3-oxazolidin-2-one
PubChem CID159685196
Molecular FormulaC56H68N4O8
Molecular Weight925.18 g/mol
Exact Mass924.50
IUPAC Namemethane;(4S,5R)-4-methyl-5-phenyl-1,3-oxazolidin-2-one;(4S)-4-phenyl-1,3-oxazolidin-2-one;(4S,5R)-5-phenyl-4-propan-2-yl-1,3-oxazolidin-2-one;(4S)-4,5,5-triphenyl-1,3-oxazolidin-2-one
SMILESC.C.C.C.CC(C)[C@@H]1NC(=O)O[C@@H]1c1ccccc1.C[C@@H]1NC(=O)O[C@@H]1c1ccccc1.O=C1N[C@@H](c2ccccc2)C(c2ccccc2)(c2ccccc2)O1.O=C1N[C@@H](c2ccccc2)CO1
InChIInChI=1S/C21H17NO2.C12H15NO2.C10H11NO2.C9H9NO2.4CH4/c23-20-22-19(16-10-4-1-5-11-16)21(24-20,17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-8(2)10-11(15-12(14)13-10)9-6-4-3-5-7-9;1-7-9(13-10(12)11-7)8-5-3-2-4-6-8;11-9-10-8(6-12-9)7-4-2-1-3-5-7;;;;/h1-15,19H,(H,22,23);3-8,10-11H,1-2H3,(H,13,14);2-7,9H,1H3,(H,11,12);1-5,8H,6H2,(H,10,11);4*1H4/t19-;10-,11+;7-,9-;8-;;;;/m0001..../s1
InChIKeyMVRUZXVDHNUPDT-KWYHGPTLSA-N
XLogP12.77
TPSA153.32 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms68
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500925.18
LogP ≤ 512.77
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}

Analyze methane;(4S,5R)-4-methyl-5-phenyl-1,3-oxazolidin-2-one;(4S)-4-phenyl-1,3-oxazolidin-2-one;(4S,5R)-5-phenyl-4-propan-2-yl-1,3-oxazolidin-2-one;(4S)-4,5,5-triphenyl-1,3-oxazolidin-2-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of methane;(4S,5R)-4-methyl-5-phenyl-1,3-oxazolidin-2-one;(4S)-4-phenyl-1,3-oxazolidin-2-one;(4S,5R)-5-phenyl-4-propan-2-yl-1,3-oxazolidin-2-one;(4S)-4,5,5-triphenyl-1,3-oxazolidin-2-one?
The IUPAC name of methane;(4S,5R)-4-methyl-5-phenyl-1,3-oxazolidin-2-one;(4S)-4-phenyl-1,3-oxazolidin-2-one;(4S,5R)-5-phenyl-4-propan-2-yl-1,3-oxazolidin-2-one;(4S)-4,5,5-triphenyl-1,3-oxazolidin-2-one (CID 159685196) is methane;(4S,5R)-4-methyl-5-phenyl-1,3-oxazolidin-2-one;(4S)-4-phenyl-1,3-oxazolidin-2-one;(4S,5R)-5-phenyl-4-propan-2-yl-1,3-oxazolidin-2-one;(4S)-4,5,5-triphenyl-1,3-oxazolidin-2-one.
What is the SMILES notation for methane;(4S,5R)-4-methyl-5-phenyl-1,3-oxazolidin-2-one;(4S)-4-phenyl-1,3-oxazolidin-2-one;(4S,5R)-5-phenyl-4-propan-2-yl-1,3-oxazolidin-2-one;(4S)-4,5,5-triphenyl-1,3-oxazolidin-2-one?
The canonical SMILES for methane;(4S,5R)-4-methyl-5-phenyl-1,3-oxazolidin-2-one;(4S)-4-phenyl-1,3-oxazolidin-2-one;(4S,5R)-5-phenyl-4-propan-2-yl-1,3-oxazolidin-2-one;(4S)-4,5,5-triphenyl-1,3-oxazolidin-2-one is C.C.C.C.CC(C)[C@@H]1NC(=O)O[C@@H]1c1ccccc1.C[C@@H]1NC(=O)O[C@@H]1c1ccccc1.O=C1N[C@@H](c2ccccc2)C(c2ccccc2)(c2ccccc2)O1.O=C1N[C@@H](c2ccccc2)CO1.
What is the InChIKey of methane;(4S,5R)-4-methyl-5-phenyl-1,3-oxazolidin-2-one;(4S)-4-phenyl-1,3-oxazolidin-2-one;(4S,5R)-5-phenyl-4-propan-2-yl-1,3-oxazolidin-2-one;(4S)-4,5,5-triphenyl-1,3-oxazolidin-2-one?
The InChIKey is MVRUZXVDHNUPDT-KWYHGPTLSA-N. The full InChI is InChI=1S/C21H17NO2.C12H15NO2.C10H11NO2.C9H9NO2.4CH4/c23-20-22-19(16-10-4-1-5-11-16)21(24-20,17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-8(2)10-11(15-12(14)13-10)9-6-4-3-5-7-9;1-7-9(13-10(12)11-7)8-5-3-2-4-6-8;11-9-10-8(6-12-9)7-4-2-1-3-5-7;;;;/h1-15,19H,(H,22,23);3-8,10-11H,1-2H3,(H,13,14);2-7,9H,1H3,(H,11,12);1-5,8H,6H2,(H,10,11);4*1H4/t19-;10-,11+;7-,9-;8-;;;;/m0001..../s1.
What are the key properties of methane;(4S,5R)-4-methyl-5-phenyl-1,3-oxazolidin-2-one;(4S)-4-phenyl-1,3-oxazolidin-2-one;(4S,5R)-5-phenyl-4-propan-2-yl-1,3-oxazolidin-2-one;(4S)-4,5,5-triphenyl-1,3-oxazolidin-2-one?
methane;(4S,5R)-4-methyl-5-phenyl-1,3-oxazolidin-2-one;(4S)-4-phenyl-1,3-oxazolidin-2-one;(4S,5R)-5-phenyl-4-propan-2-yl-1,3-oxazolidin-2-one;(4S)-4,5,5-triphenyl-1,3-oxazolidin-2-one has a molecular weight of 925.18 g/mol, XLogP of 12.77, 7 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for methane;(4S,5R)-4-methyl-5-phenyl-1,3-oxazolidin-2-one;(4S)-4-phenyl-1,3-oxazolidin-2-one;(4S,5R)-5-phenyl-4-propan-2-yl-1,3-oxazolidin-2-one;(4S)-4,5,5-triphenyl-1,3-oxazolidin-2-one is sourced from PubChem (CID 159685196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).