methyl 3-benzhydryl-5-methyl-2-oxo-1,3-oxazolidine-4-carboxylate

C19H19NO4 — CID 18474879

IUPACmethyl 3-benzhydryl-5-methyl-2-oxo-1,3-oxazolidine-4-carboxylate
SMILESCOC(=O)C1C(C)OC(=O)N1C(c1ccccc1)c1ccccc1
InChIInChI=1S/C19H19NO4/c1-13-16(18(21)23-2)20(19(22)24-13)17(14-9-5-3-6-10-14)15-11-7-4-8-12-15/h3-13,16-17H,1-2H3
InChIKeyJMDJIEAJCJAGRT-UHFFFAOYSA-N
MW325.36 g/mol
LogP3.16
Rot. Bonds4

About methyl 3-benzhydryl-5-methyl-2-oxo-1,3-oxazolidine-4-carboxylate

methyl 3-benzhydryl-5-methyl-2-oxo-1,3-oxazolidine-4-carboxylate (PubChem CID 18474879) has the molecular formula C19H19NO4 and a molecular weight of 325.36 g/mol. Its IUPAC name is methyl 3-benzhydryl-5-methyl-2-oxo-1,3-oxazolidine-4-carboxylate.

Molecular Properties

Compound Namemethyl 3-benzhydryl-5-methyl-2-oxo-1,3-oxazolidine-4-carboxylate
PubChem CID18474879
Molecular FormulaC19H19NO4
Molecular Weight325.36 g/mol
Exact Mass325.13
IUPAC Namemethyl 3-benzhydryl-5-methyl-2-oxo-1,3-oxazolidine-4-carboxylate
SMILESCOC(=O)C1C(C)OC(=O)N1C(c1ccccc1)c1ccccc1
InChIInChI=1S/C19H19NO4/c1-13-16(18(21)23-2)20(19(22)24-13)17(14-9-5-3-6-10-14)15-11-7-4-8-12-15/h3-13,16-17H,1-2H3
InChIKeyJMDJIEAJCJAGRT-UHFFFAOYSA-N
XLogP3.16
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.36
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze methyl 3-benzhydryl-5-methyl-2-oxo-1,3-oxazolidine-4-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of methyl 3-benzhydryl-5-methyl-2-oxo-1,3-oxazolidine-4-carboxylate?
The IUPAC name of methyl 3-benzhydryl-5-methyl-2-oxo-1,3-oxazolidine-4-carboxylate (CID 18474879) is methyl 3-benzhydryl-5-methyl-2-oxo-1,3-oxazolidine-4-carboxylate.
What is the SMILES notation for methyl 3-benzhydryl-5-methyl-2-oxo-1,3-oxazolidine-4-carboxylate?
The canonical SMILES for methyl 3-benzhydryl-5-methyl-2-oxo-1,3-oxazolidine-4-carboxylate is COC(=O)C1C(C)OC(=O)N1C(c1ccccc1)c1ccccc1.
What is the InChIKey of methyl 3-benzhydryl-5-methyl-2-oxo-1,3-oxazolidine-4-carboxylate?
The InChIKey is JMDJIEAJCJAGRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19NO4/c1-13-16(18(21)23-2)20(19(22)24-13)17(14-9-5-3-6-10-14)15-11-7-4-8-12-15/h3-13,16-17H,1-2H3.
What are the key properties of methyl 3-benzhydryl-5-methyl-2-oxo-1,3-oxazolidine-4-carboxylate?
methyl 3-benzhydryl-5-methyl-2-oxo-1,3-oxazolidine-4-carboxylate has a molecular weight of 325.36 g/mol, XLogP of 3.16, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-benzhydryl-5-methyl-2-oxo-1,3-oxazolidine-4-carboxylate is sourced from PubChem (CID 18474879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).