phenylmethoxycarbonyl 2-(2,4-dimethoxyphenyl)-4-phenyl-1,3-oxazolidine-5-carboxylate

C26H25NO7 — CID 140973353

IUPACphenylmethoxycarbonyl 2-(2,4-dimethoxyphenyl)-4-phenyl-1,3-oxazolidine-5-carboxylate
SMILESCOc1ccc(C2NC(c3ccccc3)C(C(=O)OC(=O)OCc3ccccc3)O2)c(OC)c1
InChIInChI=1S/C26H25NO7/c1-30-19-13-14-20(21(15-19)31-2)24-27-22(18-11-7-4-8-12-18)23(33-24)25(28)34-26(29)32-16-17-9-5-3-6-10-17/h3-15,22-24,27H,16H2,1-2H3
InChIKeyYKKYFKQXZZOFLL-UHFFFAOYSA-N
MW463.49 g/mol
LogP4.31
Rot. Bonds7

About phenylmethoxycarbonyl 2-(2,4-dimethoxyphenyl)-4-phenyl-1,3-oxazolidine-5-carboxylate

phenylmethoxycarbonyl 2-(2,4-dimethoxyphenyl)-4-phenyl-1,3-oxazolidine-5-carboxylate (PubChem CID 140973353) has the molecular formula C26H25NO7 and a molecular weight of 463.49 g/mol. Its IUPAC name is phenylmethoxycarbonyl 2-(2,4-dimethoxyphenyl)-4-phenyl-1,3-oxazolidine-5-carboxylate.

Molecular Properties

Compound Namephenylmethoxycarbonyl 2-(2,4-dimethoxyphenyl)-4-phenyl-1,3-oxazolidine-5-carboxylate
PubChem CID140973353
Molecular FormulaC26H25NO7
Molecular Weight463.49 g/mol
Exact Mass463.16
IUPAC Namephenylmethoxycarbonyl 2-(2,4-dimethoxyphenyl)-4-phenyl-1,3-oxazolidine-5-carboxylate
SMILESCOc1ccc(C2NC(c3ccccc3)C(C(=O)OC(=O)OCc3ccccc3)O2)c(OC)c1
InChIInChI=1S/C26H25NO7/c1-30-19-13-14-20(21(15-19)31-2)24-27-22(18-11-7-4-8-12-18)23(33-24)25(28)34-26(29)32-16-17-9-5-3-6-10-17/h3-15,22-24,27H,16H2,1-2H3
InChIKeyYKKYFKQXZZOFLL-UHFFFAOYSA-N
XLogP4.31
TPSA92.32 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.49
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

Analyze phenylmethoxycarbonyl 2-(2,4-dimethoxyphenyl)-4-phenyl-1,3-oxazolidine-5-carboxylate with MolForge

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

Launch Full Analysis

Related Compounds

butylurea;2-(2,4-dimethoxyphenyl)-4-phenyl-1,3-oxazolidine-5-carboxylic acid
CID 67763359
3-O-benzyl 5-O-methyl 2-(2,4-dimethoxyphenyl)-4-phenyl-1,3-oxazolidine-3,5-dicarboxylate
CID 57230837
benzyl (4R)-4-(2,4-dimethoxyphenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 1101054
2-(4-methoxyphenyl)-4-phenyl-1,3-oxazolidine-5-carboxylic acid
CID 54321524
methyl (4S,5R)-3-benzyl-2-(2,4-dimethoxyphenyl)-4-phenyl-1,3-oxazolidine-5-carboxylate
CID 57044936
benzyl (4S,5S)-5-phenyl-3-(2,4,6-trimethoxyphenyl)-4,5-dihydro-1,2-oxazole-4-carboxylate
CID 991096
benzyl (4S,7S)-4-(2,4-dimethoxyphenyl)-2-methyl-5-oxo-7-phenyl-4,6,7,8-tetrahydro-3H-quinoline-3-carboxylate
CID 6982144
benzyl (4S,7S)-4-(2,4-dimethoxyphenyl)-2-methyl-5-oxo-7-phenyl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate
CID 1360798
(5-methoxy-2-phenylmethoxyphenyl)-[(2R,3R)-3-phenyloxiran-2-yl]methanone
CID 7036097
benzyl (4S,7S)-4-(2,4-dimethoxyphenyl)-7-(4-methoxyphenyl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate
CID 1113418
5-O-methyl 3-O-(2,2,2-trichloroethyl) 2-(2,4-dimethoxyphenyl)-4-phenyl-1,3-oxazolidine-3,5-dicarboxylate
CID 57064229
benzyl phenylmethoxycarbonyl carbonate
CID 3649378

Frequently Asked Questions

What is the IUPAC name of phenylmethoxycarbonyl 2-(2,4-dimethoxyphenyl)-4-phenyl-1,3-oxazolidine-5-carboxylate?
The IUPAC name of phenylmethoxycarbonyl 2-(2,4-dimethoxyphenyl)-4-phenyl-1,3-oxazolidine-5-carboxylate (CID 140973353) is phenylmethoxycarbonyl 2-(2,4-dimethoxyphenyl)-4-phenyl-1,3-oxazolidine-5-carboxylate.
What is the SMILES notation for phenylmethoxycarbonyl 2-(2,4-dimethoxyphenyl)-4-phenyl-1,3-oxazolidine-5-carboxylate?
The canonical SMILES for phenylmethoxycarbonyl 2-(2,4-dimethoxyphenyl)-4-phenyl-1,3-oxazolidine-5-carboxylate is COc1ccc(C2NC(c3ccccc3)C(C(=O)OC(=O)OCc3ccccc3)O2)c(OC)c1.
What is the InChIKey of phenylmethoxycarbonyl 2-(2,4-dimethoxyphenyl)-4-phenyl-1,3-oxazolidine-5-carboxylate?
The InChIKey is YKKYFKQXZZOFLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25NO7/c1-30-19-13-14-20(21(15-19)31-2)24-27-22(18-11-7-4-8-12-18)23(33-24)25(28)34-26(29)32-16-17-9-5-3-6-10-17/h3-15,22-24,27H,16H2,1-2H3.
What are the key properties of phenylmethoxycarbonyl 2-(2,4-dimethoxyphenyl)-4-phenyl-1,3-oxazolidine-5-carboxylate?
phenylmethoxycarbonyl 2-(2,4-dimethoxyphenyl)-4-phenyl-1,3-oxazolidine-5-carboxylate has a molecular weight of 463.49 g/mol, XLogP of 4.31, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for phenylmethoxycarbonyl 2-(2,4-dimethoxyphenyl)-4-phenyl-1,3-oxazolidine-5-carboxylate is sourced from PubChem (CID 140973353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).