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

C25H23NO4 — CID 12010021

IUPACmethyl 3-benzhydryl-4-methyl-2-oxo-5-phenyl-1,3-oxazolidine-4-carboxylate
SMILESCOC(=O)C1(C)C(c2ccccc2)OC(=O)N1C(c1ccccc1)c1ccccc1
InChIInChI=1S/C25H23NO4/c1-25(23(27)29-2)22(20-16-10-5-11-17-20)30-24(28)26(25)21(18-12-6-3-7-13-18)19-14-8-4-9-15-19/h3-17,21-22H,1-2H3
InChIKeyNRZIFTSHOZZSGR-UHFFFAOYSA-N
MW401.46 g/mol
LogP4.90
Rot. Bonds5

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

methyl 3-benzhydryl-4-methyl-2-oxo-5-phenyl-1,3-oxazolidine-4-carboxylate (PubChem CID 12010021) has the molecular formula C25H23NO4 and a molecular weight of 401.46 g/mol. Its IUPAC name is methyl 3-benzhydryl-4-methyl-2-oxo-5-phenyl-1,3-oxazolidine-4-carboxylate.

Molecular Properties

Compound Namemethyl 3-benzhydryl-4-methyl-2-oxo-5-phenyl-1,3-oxazolidine-4-carboxylate
PubChem CID12010021
Molecular FormulaC25H23NO4
Molecular Weight401.46 g/mol
Exact Mass401.16
IUPAC Namemethyl 3-benzhydryl-4-methyl-2-oxo-5-phenyl-1,3-oxazolidine-4-carboxylate
SMILESCOC(=O)C1(C)C(c2ccccc2)OC(=O)N1C(c1ccccc1)c1ccccc1
InChIInChI=1S/C25H23NO4/c1-25(23(27)29-2)22(20-16-10-5-11-17-20)30-24(28)26(25)21(18-12-6-3-7-13-18)19-14-8-4-9-15-19/h3-17,21-22H,1-2H3
InChIKeyNRZIFTSHOZZSGR-UHFFFAOYSA-N
XLogP4.90
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.46
LogP ≤ 54.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 3-benzhydryl-4-methyl-2-oxo-5-phenyl-1,3-oxazolidine-4-carboxylate?
The IUPAC name of methyl 3-benzhydryl-4-methyl-2-oxo-5-phenyl-1,3-oxazolidine-4-carboxylate (CID 12010021) is methyl 3-benzhydryl-4-methyl-2-oxo-5-phenyl-1,3-oxazolidine-4-carboxylate.
What is the SMILES notation for methyl 3-benzhydryl-4-methyl-2-oxo-5-phenyl-1,3-oxazolidine-4-carboxylate?
The canonical SMILES for methyl 3-benzhydryl-4-methyl-2-oxo-5-phenyl-1,3-oxazolidine-4-carboxylate is COC(=O)C1(C)C(c2ccccc2)OC(=O)N1C(c1ccccc1)c1ccccc1.
What is the InChIKey of methyl 3-benzhydryl-4-methyl-2-oxo-5-phenyl-1,3-oxazolidine-4-carboxylate?
The InChIKey is NRZIFTSHOZZSGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23NO4/c1-25(23(27)29-2)22(20-16-10-5-11-17-20)30-24(28)26(25)21(18-12-6-3-7-13-18)19-14-8-4-9-15-19/h3-17,21-22H,1-2H3.
What are the key properties of methyl 3-benzhydryl-4-methyl-2-oxo-5-phenyl-1,3-oxazolidine-4-carboxylate?
methyl 3-benzhydryl-4-methyl-2-oxo-5-phenyl-1,3-oxazolidine-4-carboxylate has a molecular weight of 401.46 g/mol, XLogP of 4.90, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-benzhydryl-4-methyl-2-oxo-5-phenyl-1,3-oxazolidine-4-carboxylate is sourced from PubChem (CID 12010021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).