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

C26H24N2O4 — CID 72826189

IUPACethyl 3-(4-methylphenyl)-2'-oxo-2-phenylspiro[1,2-oxazolidine-4,3'-1H-indole]-5-carboxylate
SMILESCCOC(=O)C1ON(c2ccccc2)C(c2ccc(C)cc2)C12C(=O)Nc1ccccc12
InChIInChI=1S/C26H24N2O4/c1-3-31-24(29)23-26(20-11-7-8-12-21(20)27-25(26)30)22(18-15-13-17(2)14-16-18)28(32-23)19-9-5-4-6-10-19/h4-16,22-23H,3H2,1-2H3,(H,27,30)
InChIKeyYDIIWILSHFBNBM-UHFFFAOYSA-N
MW428.49 g/mol
LogP4.31
Rot. Bonds4

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

ethyl 3-(4-methylphenyl)-2'-oxo-2-phenylspiro[1,2-oxazolidine-4,3'-1H-indole]-5-carboxylate (PubChem CID 72826189) has the molecular formula C26H24N2O4 and a molecular weight of 428.49 g/mol. Its IUPAC name is ethyl 3-(4-methylphenyl)-2'-oxo-2-phenylspiro[1,2-oxazolidine-4,3'-1H-indole]-5-carboxylate.

Molecular Properties

Compound Nameethyl 3-(4-methylphenyl)-2'-oxo-2-phenylspiro[1,2-oxazolidine-4,3'-1H-indole]-5-carboxylate
PubChem CID72826189
Molecular FormulaC26H24N2O4
Molecular Weight428.49 g/mol
Exact Mass428.17
IUPAC Nameethyl 3-(4-methylphenyl)-2'-oxo-2-phenylspiro[1,2-oxazolidine-4,3'-1H-indole]-5-carboxylate
SMILESCCOC(=O)C1ON(c2ccccc2)C(c2ccc(C)cc2)C12C(=O)Nc1ccccc12
InChIInChI=1S/C26H24N2O4/c1-3-31-24(29)23-26(20-11-7-8-12-21(20)27-25(26)30)22(18-15-13-17(2)14-16-18)28(32-23)19-9-5-4-6-10-19/h4-16,22-23H,3H2,1-2H3,(H,27,30)
InChIKeyYDIIWILSHFBNBM-UHFFFAOYSA-N
XLogP4.31
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 ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 3-(4-methylphenyl)-2'-oxo-2-phenylspiro[1,2-oxazolidine-4,3'-1H-indole]-5-carboxylate?
The IUPAC name of ethyl 3-(4-methylphenyl)-2'-oxo-2-phenylspiro[1,2-oxazolidine-4,3'-1H-indole]-5-carboxylate (CID 72826189) is ethyl 3-(4-methylphenyl)-2'-oxo-2-phenylspiro[1,2-oxazolidine-4,3'-1H-indole]-5-carboxylate.
What is the SMILES notation for ethyl 3-(4-methylphenyl)-2'-oxo-2-phenylspiro[1,2-oxazolidine-4,3'-1H-indole]-5-carboxylate?
The canonical SMILES for ethyl 3-(4-methylphenyl)-2'-oxo-2-phenylspiro[1,2-oxazolidine-4,3'-1H-indole]-5-carboxylate is CCOC(=O)C1ON(c2ccccc2)C(c2ccc(C)cc2)C12C(=O)Nc1ccccc12.
What is the InChIKey of ethyl 3-(4-methylphenyl)-2'-oxo-2-phenylspiro[1,2-oxazolidine-4,3'-1H-indole]-5-carboxylate?
The InChIKey is YDIIWILSHFBNBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24N2O4/c1-3-31-24(29)23-26(20-11-7-8-12-21(20)27-25(26)30)22(18-15-13-17(2)14-16-18)28(32-23)19-9-5-4-6-10-19/h4-16,22-23H,3H2,1-2H3,(H,27,30).
What are the key properties of ethyl 3-(4-methylphenyl)-2'-oxo-2-phenylspiro[1,2-oxazolidine-4,3'-1H-indole]-5-carboxylate?
ethyl 3-(4-methylphenyl)-2'-oxo-2-phenylspiro[1,2-oxazolidine-4,3'-1H-indole]-5-carboxylate has a molecular weight of 428.49 g/mol, XLogP of 4.31, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-(4-methylphenyl)-2'-oxo-2-phenylspiro[1,2-oxazolidine-4,3'-1H-indole]-5-carboxylate is sourced from PubChem (CID 72826189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).