methyl (3S,4R,5S)-5-hydroxy-5-methyl-2,3-diphenyl-1,2-oxazolidine-4-carboxylate

C18H19NO4 — CID 102441654

IUPACmethyl (3S,4R,5S)-5-hydroxy-5-methyl-2,3-diphenyl-1,2-oxazolidine-4-carboxylate
SMILESCOC(=O)[C@@H]1[C@@H](c2ccccc2)N(c2ccccc2)O[C@]1(C)O
InChIInChI=1S/C18H19NO4/c1-18(21)15(17(20)22-2)16(13-9-5-3-6-10-13)19(23-18)14-11-7-4-8-12-14/h3-12,15-16,21H,1-2H3/t15-,16+,18-/m0/s1
InChIKeyGUSLDSYZKXDXLB-JZXOWHBKSA-N
MW313.35 g/mol
LogP2.68
Rot. Bonds3

About methyl (3S,4R,5S)-5-hydroxy-5-methyl-2,3-diphenyl-1,2-oxazolidine-4-carboxylate

methyl (3S,4R,5S)-5-hydroxy-5-methyl-2,3-diphenyl-1,2-oxazolidine-4-carboxylate (PubChem CID 102441654) has the molecular formula C18H19NO4 and a molecular weight of 313.35 g/mol. Its IUPAC name is methyl (3S,4R,5S)-5-hydroxy-5-methyl-2,3-diphenyl-1,2-oxazolidine-4-carboxylate.

Molecular Properties

Compound Namemethyl (3S,4R,5S)-5-hydroxy-5-methyl-2,3-diphenyl-1,2-oxazolidine-4-carboxylate
PubChem CID102441654
Molecular FormulaC18H19NO4
Molecular Weight313.35 g/mol
Exact Mass313.13
IUPAC Namemethyl (3S,4R,5S)-5-hydroxy-5-methyl-2,3-diphenyl-1,2-oxazolidine-4-carboxylate
SMILESCOC(=O)[C@@H]1[C@@H](c2ccccc2)N(c2ccccc2)O[C@]1(C)O
InChIInChI=1S/C18H19NO4/c1-18(21)15(17(20)22-2)16(13-9-5-3-6-10-13)19(23-18)14-11-7-4-8-12-14/h3-12,15-16,21H,1-2H3/t15-,16+,18-/m0/s1
InChIKeyGUSLDSYZKXDXLB-JZXOWHBKSA-N
XLogP2.68
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.35
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 2-phenyloxaziridine-3-carboxylate
CID 87926352
methyl (3R,4S)-2-methyl-3-phenylspiro[1,2-oxazolidine-5,10'-12-oxatetracyclo[6.3.1.02,7.09,11]dodeca-2,4,6-triene]-4-carboxylate
CID 135026593
methyl (2S,3S)-1-methyl-3-phenylaziridine-2-carboxylate
CID 101194105
dimethyl (2R,3S,4S,5R)-1-methyl-2,5-diphenylpyrrolidine-3,4-dicarboxylate
CID 13169497
dimethyl (1R,2R,3S,4R)-4-hydroxy-4-methyl-6-oxo-2-phenylcyclohexane-1,3-dicarboxylate
CID 11877832
methyl (3R,4S)-1-benzyl-2-oxo-4-phenylazetidine-3-carboxylate
CID 10469773
dimethyl (1R,8R,9R,10S)-1-methyl-8-methylsulfanyl-11-oxatricyclo[6.2.1.02,7]undeca-2,4,6-triene-9,10-dicarboxylate
CID 10403855
methyl (4R,5S)-3-methyl-2-oxo-1,5-diphenylimidazolidine-4-carboxylate
CID 11220613
trans-dimethyl (1R,2R)-3,3-diphenylcyclopropane-1,2-dicarboxylate
CID 882276
dimethyl (3S,4R,7R,8S,8aR)-8a-methyl-1-oxo-4-phenyl-3-propan-2-yl-4,6,7,8-tetrahydro-3H-pyrrolo[2,1-c][1,4]oxazine-7,8-dicarboxylate
CID 101124660
ethyl (3R,4S)-3-(4-methylphenyl)-2'-oxo-2-phenylspiro[1,2-oxazolidine-5,3'-1H-indole]-4-carboxylate
CID 11258902
methyl (1R,2R,3R)-2-[4-(3,3-dimethylazetidin-1-yl)phenyl]-3-phenylcyclopropane-1-carboxylate
CID 90198457

Frequently Asked Questions

What is the IUPAC name of methyl (3S,4R,5S)-5-hydroxy-5-methyl-2,3-diphenyl-1,2-oxazolidine-4-carboxylate?
The IUPAC name of methyl (3S,4R,5S)-5-hydroxy-5-methyl-2,3-diphenyl-1,2-oxazolidine-4-carboxylate (CID 102441654) is methyl (3S,4R,5S)-5-hydroxy-5-methyl-2,3-diphenyl-1,2-oxazolidine-4-carboxylate.
What is the SMILES notation for methyl (3S,4R,5S)-5-hydroxy-5-methyl-2,3-diphenyl-1,2-oxazolidine-4-carboxylate?
The canonical SMILES for methyl (3S,4R,5S)-5-hydroxy-5-methyl-2,3-diphenyl-1,2-oxazolidine-4-carboxylate is COC(=O)[C@@H]1[C@@H](c2ccccc2)N(c2ccccc2)O[C@]1(C)O.
What is the InChIKey of methyl (3S,4R,5S)-5-hydroxy-5-methyl-2,3-diphenyl-1,2-oxazolidine-4-carboxylate?
The InChIKey is GUSLDSYZKXDXLB-JZXOWHBKSA-N. The full InChI is InChI=1S/C18H19NO4/c1-18(21)15(17(20)22-2)16(13-9-5-3-6-10-13)19(23-18)14-11-7-4-8-12-14/h3-12,15-16,21H,1-2H3/t15-,16+,18-/m0/s1.
What are the key properties of methyl (3S,4R,5S)-5-hydroxy-5-methyl-2,3-diphenyl-1,2-oxazolidine-4-carboxylate?
methyl (3S,4R,5S)-5-hydroxy-5-methyl-2,3-diphenyl-1,2-oxazolidine-4-carboxylate has a molecular weight of 313.35 g/mol, XLogP of 2.68, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (3S,4R,5S)-5-hydroxy-5-methyl-2,3-diphenyl-1,2-oxazolidine-4-carboxylate is sourced from PubChem (CID 102441654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).