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

C25H21FN2O4 — CID 72812394

IUPACethyl 3-(4-fluorophenyl)-2'-oxo-2-phenylspiro[1,2-oxazolidine-4,3'-1H-indole]-5-carboxylate
SMILESCCOC(=O)C1ON(c2ccccc2)C(c2ccc(F)cc2)C12C(=O)Nc1ccccc12
InChIInChI=1S/C25H21FN2O4/c1-2-31-23(29)22-25(19-10-6-7-11-20(19)27-24(25)30)21(16-12-14-17(26)15-13-16)28(32-22)18-8-4-3-5-9-18/h3-15,21-22H,2H2,1H3,(H,27,30)
InChIKeyLYRMWFOTQYRZNC-UHFFFAOYSA-N
MW432.45 g/mol
LogP4.14
Rot. Bonds4

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

ethyl 3-(4-fluorophenyl)-2'-oxo-2-phenylspiro[1,2-oxazolidine-4,3'-1H-indole]-5-carboxylate (PubChem CID 72812394) has the molecular formula C25H21FN2O4 and a molecular weight of 432.45 g/mol. Its IUPAC name is ethyl 3-(4-fluorophenyl)-2'-oxo-2-phenylspiro[1,2-oxazolidine-4,3'-1H-indole]-5-carboxylate.

Molecular Properties

Compound Nameethyl 3-(4-fluorophenyl)-2'-oxo-2-phenylspiro[1,2-oxazolidine-4,3'-1H-indole]-5-carboxylate
PubChem CID72812394
Molecular FormulaC25H21FN2O4
Molecular Weight432.45 g/mol
Exact Mass432.15
IUPAC Nameethyl 3-(4-fluorophenyl)-2'-oxo-2-phenylspiro[1,2-oxazolidine-4,3'-1H-indole]-5-carboxylate
SMILESCCOC(=O)C1ON(c2ccccc2)C(c2ccc(F)cc2)C12C(=O)Nc1ccccc12
InChIInChI=1S/C25H21FN2O4/c1-2-31-23(29)22-25(19-10-6-7-11-20(19)27-24(25)30)21(16-12-14-17(26)15-13-16)28(32-22)18-8-4-3-5-9-18/h3-15,21-22H,2H2,1H3,(H,27,30)
InChIKeyLYRMWFOTQYRZNC-UHFFFAOYSA-N
XLogP4.14
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.45
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze ethyl 3-(4-fluorophenyl)-2'-oxo-2-phenylspiro[1,2-oxazolidine-4,3'-1H-indole]-5-carboxylate with MolForge

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Frequently Asked Questions

What is the IUPAC name of ethyl 3-(4-fluorophenyl)-2'-oxo-2-phenylspiro[1,2-oxazolidine-4,3'-1H-indole]-5-carboxylate?
The IUPAC name of ethyl 3-(4-fluorophenyl)-2'-oxo-2-phenylspiro[1,2-oxazolidine-4,3'-1H-indole]-5-carboxylate (CID 72812394) is ethyl 3-(4-fluorophenyl)-2'-oxo-2-phenylspiro[1,2-oxazolidine-4,3'-1H-indole]-5-carboxylate.
What is the SMILES notation for ethyl 3-(4-fluorophenyl)-2'-oxo-2-phenylspiro[1,2-oxazolidine-4,3'-1H-indole]-5-carboxylate?
The canonical SMILES for ethyl 3-(4-fluorophenyl)-2'-oxo-2-phenylspiro[1,2-oxazolidine-4,3'-1H-indole]-5-carboxylate is CCOC(=O)C1ON(c2ccccc2)C(c2ccc(F)cc2)C12C(=O)Nc1ccccc12.
What is the InChIKey of ethyl 3-(4-fluorophenyl)-2'-oxo-2-phenylspiro[1,2-oxazolidine-4,3'-1H-indole]-5-carboxylate?
The InChIKey is LYRMWFOTQYRZNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21FN2O4/c1-2-31-23(29)22-25(19-10-6-7-11-20(19)27-24(25)30)21(16-12-14-17(26)15-13-16)28(32-22)18-8-4-3-5-9-18/h3-15,21-22H,2H2,1H3,(H,27,30).
What are the key properties of ethyl 3-(4-fluorophenyl)-2'-oxo-2-phenylspiro[1,2-oxazolidine-4,3'-1H-indole]-5-carboxylate?
ethyl 3-(4-fluorophenyl)-2'-oxo-2-phenylspiro[1,2-oxazolidine-4,3'-1H-indole]-5-carboxylate has a molecular weight of 432.45 g/mol, XLogP of 4.14, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-(4-fluorophenyl)-2'-oxo-2-phenylspiro[1,2-oxazolidine-4,3'-1H-indole]-5-carboxylate is sourced from PubChem (CID 72812394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).