methyl 5-hydroxy-5-methyl-2,3-diphenyl-1,2-oxazolidine-4-carboxylate

C18H19NO4 — CID 5341966

IUPACmethyl 5-hydroxy-5-methyl-2,3-diphenyl-1,2-oxazolidine-4-carboxylate
SMILESCOC(=O)C1C(c2ccccc2)N(c2ccccc2)OC1(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
InChIKeyGUSLDSYZKXDXLB-UHFFFAOYSA-N
MW313.35 g/mol
LogP2.68
Rot. Bonds3

About methyl 5-hydroxy-5-methyl-2,3-diphenyl-1,2-oxazolidine-4-carboxylate

methyl 5-hydroxy-5-methyl-2,3-diphenyl-1,2-oxazolidine-4-carboxylate (PubChem CID 5341966) has the molecular formula C18H19NO4 and a molecular weight of 313.35 g/mol. Its IUPAC name is methyl 5-hydroxy-5-methyl-2,3-diphenyl-1,2-oxazolidine-4-carboxylate.

Molecular Properties

Compound Namemethyl 5-hydroxy-5-methyl-2,3-diphenyl-1,2-oxazolidine-4-carboxylate
PubChem CID5341966
Molecular FormulaC18H19NO4
Molecular Weight313.35 g/mol
Exact Mass313.13
IUPAC Namemethyl 5-hydroxy-5-methyl-2,3-diphenyl-1,2-oxazolidine-4-carboxylate
SMILESCOC(=O)C1C(c2ccccc2)N(c2ccccc2)OC1(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
InChIKeyGUSLDSYZKXDXLB-UHFFFAOYSA-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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Frequently Asked Questions

What is the IUPAC name of methyl 5-hydroxy-5-methyl-2,3-diphenyl-1,2-oxazolidine-4-carboxylate?
The IUPAC name of methyl 5-hydroxy-5-methyl-2,3-diphenyl-1,2-oxazolidine-4-carboxylate (CID 5341966) is methyl 5-hydroxy-5-methyl-2,3-diphenyl-1,2-oxazolidine-4-carboxylate.
What is the SMILES notation for methyl 5-hydroxy-5-methyl-2,3-diphenyl-1,2-oxazolidine-4-carboxylate?
The canonical SMILES for methyl 5-hydroxy-5-methyl-2,3-diphenyl-1,2-oxazolidine-4-carboxylate is COC(=O)C1C(c2ccccc2)N(c2ccccc2)OC1(C)O.
What is the InChIKey of methyl 5-hydroxy-5-methyl-2,3-diphenyl-1,2-oxazolidine-4-carboxylate?
The InChIKey is GUSLDSYZKXDXLB-UHFFFAOYSA-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.
What are the key properties of methyl 5-hydroxy-5-methyl-2,3-diphenyl-1,2-oxazolidine-4-carboxylate?
methyl 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 5-hydroxy-5-methyl-2,3-diphenyl-1,2-oxazolidine-4-carboxylate is sourced from PubChem (CID 5341966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).