ethyl (3R,4S)-3-(4-methylphenyl)-2'-oxo-2-phenylspiro[1,2-oxazolidine-5,3'-1H-indole]-4-carboxylate

C26H24N2O4 — CID 11258902

IUPACethyl (3R,4S)-3-(4-methylphenyl)-2'-oxo-2-phenylspiro[1,2-oxazolidine-5,3'-1H-indole]-4-carboxylate
SMILESCCOC(=O)[C@H]1[C@H](c2ccc(C)cc2)N(c2ccccc2)OC12C(=O)Nc1ccccc12
InChIInChI=1S/C26H24N2O4/c1-3-31-24(29)22-23(18-15-13-17(2)14-16-18)28(19-9-5-4-6-10-19)32-26(22)20-11-7-8-12-21(20)27-25(26)30/h4-16,22-23H,3H2,1-2H3,(H,27,30)/t22-,23+,26?/m1/s1
InChIKeyQCYJKPQZTIAEEM-DBRKUKIDSA-N
MW428.49 g/mol
LogP4.51
Rot. Bonds4

About ethyl (3R,4S)-3-(4-methylphenyl)-2'-oxo-2-phenylspiro[1,2-oxazolidine-5,3'-1H-indole]-4-carboxylate

ethyl (3R,4S)-3-(4-methylphenyl)-2'-oxo-2-phenylspiro[1,2-oxazolidine-5,3'-1H-indole]-4-carboxylate (PubChem CID 11258902) has the molecular formula C26H24N2O4 and a molecular weight of 428.49 g/mol. Its IUPAC name is ethyl (3R,4S)-3-(4-methylphenyl)-2'-oxo-2-phenylspiro[1,2-oxazolidine-5,3'-1H-indole]-4-carboxylate.

Molecular Properties

Compound Nameethyl (3R,4S)-3-(4-methylphenyl)-2'-oxo-2-phenylspiro[1,2-oxazolidine-5,3'-1H-indole]-4-carboxylate
PubChem CID11258902
Molecular FormulaC26H24N2O4
Molecular Weight428.49 g/mol
Exact Mass428.17
IUPAC Nameethyl (3R,4S)-3-(4-methylphenyl)-2'-oxo-2-phenylspiro[1,2-oxazolidine-5,3'-1H-indole]-4-carboxylate
SMILESCCOC(=O)[C@H]1[C@H](c2ccc(C)cc2)N(c2ccccc2)OC12C(=O)Nc1ccccc12
InChIInChI=1S/C26H24N2O4/c1-3-31-24(29)22-23(18-15-13-17(2)14-16-18)28(19-9-5-4-6-10-19)32-26(22)20-11-7-8-12-21(20)27-25(26)30/h4-16,22-23H,3H2,1-2H3,(H,27,30)/t22-,23+,26?/m1/s1
InChIKeyQCYJKPQZTIAEEM-DBRKUKIDSA-N
XLogP4.51
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.49
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze ethyl (3R,4S)-3-(4-methylphenyl)-2'-oxo-2-phenylspiro[1,2-oxazolidine-5,3'-1H-indole]-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

Related Compounds

ethyl (3R,4S)-3-(3-bromophenyl)-2'-oxo-2-phenylspiro[1,2-oxazolidine-5,3'-1H-indole]-4-carboxylate
CID 11260415
ethyl 3-(4-cyanophenyl)-5'-fluoro-2'-oxo-2-phenylspiro[1,2-oxazolidine-5,3'-1H-indole]-4-carboxylate
CID 90667837
ethyl (3R,5R)-3-(3-methylphenyl)-2'-oxo-2-phenylspiro[1,2-oxazolidine-4,3'-1H-indole]-5-carboxylate
CID 11327821
ethyl (1'S,3'S)-3'-benzoyl-2-oxospiro[1H-indole-3,2'-cyclopropane]-1'-carboxylate
CID 122194579
ethyl (3R,5R)-3-(3-bromophenyl)-2'-oxo-2-phenylspiro[1,2-oxazolidine-4,3'-1H-indole]-5-carboxylate
CID 11352377
ethyl 5-methyl-2,3-diphenyl-1,2-oxazolidine-4-carboxylate
CID 23270968
ethyl (1'S,3R,5'R,6'S)-2,4'-dioxo-1'-phenylspiro[1H-indole-3,7'-8-oxabicyclo[3.2.1]octane]-6'-carboxylate
CID 11349847
ethyl (1'R,3R,3'R)-2-oxo-3'-pyridin-3-ylspiro[1H-indole-3,2'-cyclopropane]-1'-carboxylate
CID 102153182
ethyl (1'R,2'R,3S,4'R)-2,6'-dioxospiro[1H-indole-3,3'-bicyclo[2.2.2]octane]-2'-carboxylate
CID 102597403
ethane;ethyl 2-[3-(2-ethoxy-2-oxoethyl)-2-oxo-1H-indol-3-yl]acetate
CID 143412734
methyl (3S,4R,5S)-5-hydroxy-5-methyl-2,3-diphenyl-1,2-oxazolidine-4-carboxylate
CID 102441654
2-[(3S)-3-amino-2-oxo-1H-indol-3-yl]acetic acid
CID 134861638

Frequently Asked Questions

What is the IUPAC name of ethyl (3R,4S)-3-(4-methylphenyl)-2'-oxo-2-phenylspiro[1,2-oxazolidine-5,3'-1H-indole]-4-carboxylate?
The IUPAC name of ethyl (3R,4S)-3-(4-methylphenyl)-2'-oxo-2-phenylspiro[1,2-oxazolidine-5,3'-1H-indole]-4-carboxylate (CID 11258902) is ethyl (3R,4S)-3-(4-methylphenyl)-2'-oxo-2-phenylspiro[1,2-oxazolidine-5,3'-1H-indole]-4-carboxylate.
What is the SMILES notation for ethyl (3R,4S)-3-(4-methylphenyl)-2'-oxo-2-phenylspiro[1,2-oxazolidine-5,3'-1H-indole]-4-carboxylate?
The canonical SMILES for ethyl (3R,4S)-3-(4-methylphenyl)-2'-oxo-2-phenylspiro[1,2-oxazolidine-5,3'-1H-indole]-4-carboxylate is CCOC(=O)[C@H]1[C@H](c2ccc(C)cc2)N(c2ccccc2)OC12C(=O)Nc1ccccc12.
What is the InChIKey of ethyl (3R,4S)-3-(4-methylphenyl)-2'-oxo-2-phenylspiro[1,2-oxazolidine-5,3'-1H-indole]-4-carboxylate?
The InChIKey is QCYJKPQZTIAEEM-DBRKUKIDSA-N. The full InChI is InChI=1S/C26H24N2O4/c1-3-31-24(29)22-23(18-15-13-17(2)14-16-18)28(19-9-5-4-6-10-19)32-26(22)20-11-7-8-12-21(20)27-25(26)30/h4-16,22-23H,3H2,1-2H3,(H,27,30)/t22-,23+,26?/m1/s1.
What are the key properties of ethyl (3R,4S)-3-(4-methylphenyl)-2'-oxo-2-phenylspiro[1,2-oxazolidine-5,3'-1H-indole]-4-carboxylate?
ethyl (3R,4S)-3-(4-methylphenyl)-2'-oxo-2-phenylspiro[1,2-oxazolidine-5,3'-1H-indole]-4-carboxylate has a molecular weight of 428.49 g/mol, XLogP of 4.51, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (3R,4S)-3-(4-methylphenyl)-2'-oxo-2-phenylspiro[1,2-oxazolidine-5,3'-1H-indole]-4-carboxylate is sourced from PubChem (CID 11258902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).