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

C27H25FN2O5 — CID 90667834

IUPACethyl 3-(4-ethoxyphenyl)-5'-fluoro-2'-oxo-2-phenylspiro[1,2-oxazolidine-4,3'-1H-indole]-5-carboxylate
SMILESCCOC(=O)C1ON(c2ccccc2)C(c2ccc(OCC)cc2)C12C(=O)Nc1ccc(F)cc12
InChIInChI=1S/C27H25FN2O5/c1-3-33-20-13-10-17(11-14-20)23-27(21-16-18(28)12-15-22(21)29-26(27)32)24(25(31)34-4-2)35-30(23)19-8-6-5-7-9-19/h5-16,23-24H,3-4H2,1-2H3,(H,29,32)
InChIKeyNLYGFTSQOACIJM-UHFFFAOYSA-N
MW476.50 g/mol
LogP4.54
Rot. Bonds6

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

ethyl 3-(4-ethoxyphenyl)-5'-fluoro-2'-oxo-2-phenylspiro[1,2-oxazolidine-4,3'-1H-indole]-5-carboxylate (PubChem CID 90667834) has the molecular formula C27H25FN2O5 and a molecular weight of 476.50 g/mol. Its IUPAC name is ethyl 3-(4-ethoxyphenyl)-5'-fluoro-2'-oxo-2-phenylspiro[1,2-oxazolidine-4,3'-1H-indole]-5-carboxylate.

Molecular Properties

Compound Nameethyl 3-(4-ethoxyphenyl)-5'-fluoro-2'-oxo-2-phenylspiro[1,2-oxazolidine-4,3'-1H-indole]-5-carboxylate
PubChem CID90667834
Molecular FormulaC27H25FN2O5
Molecular Weight476.50 g/mol
Exact Mass476.17
IUPAC Nameethyl 3-(4-ethoxyphenyl)-5'-fluoro-2'-oxo-2-phenylspiro[1,2-oxazolidine-4,3'-1H-indole]-5-carboxylate
SMILESCCOC(=O)C1ON(c2ccccc2)C(c2ccc(OCC)cc2)C12C(=O)Nc1ccc(F)cc12
InChIInChI=1S/C27H25FN2O5/c1-3-33-20-13-10-17(11-14-20)23-27(21-16-18(28)12-15-22(21)29-26(27)32)24(25(31)34-4-2)35-30(23)19-8-6-5-7-9-19/h5-16,23-24H,3-4H2,1-2H3,(H,29,32)
InChIKeyNLYGFTSQOACIJM-UHFFFAOYSA-N
XLogP4.54
TPSA77.10 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.50
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze ethyl 3-(4-ethoxyphenyl)-5'-fluoro-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-ethoxyphenyl)-5'-fluoro-2'-oxo-2-phenylspiro[1,2-oxazolidine-4,3'-1H-indole]-5-carboxylate?
The IUPAC name of ethyl 3-(4-ethoxyphenyl)-5'-fluoro-2'-oxo-2-phenylspiro[1,2-oxazolidine-4,3'-1H-indole]-5-carboxylate (CID 90667834) is ethyl 3-(4-ethoxyphenyl)-5'-fluoro-2'-oxo-2-phenylspiro[1,2-oxazolidine-4,3'-1H-indole]-5-carboxylate.
What is the SMILES notation for ethyl 3-(4-ethoxyphenyl)-5'-fluoro-2'-oxo-2-phenylspiro[1,2-oxazolidine-4,3'-1H-indole]-5-carboxylate?
The canonical SMILES for ethyl 3-(4-ethoxyphenyl)-5'-fluoro-2'-oxo-2-phenylspiro[1,2-oxazolidine-4,3'-1H-indole]-5-carboxylate is CCOC(=O)C1ON(c2ccccc2)C(c2ccc(OCC)cc2)C12C(=O)Nc1ccc(F)cc12.
What is the InChIKey of ethyl 3-(4-ethoxyphenyl)-5'-fluoro-2'-oxo-2-phenylspiro[1,2-oxazolidine-4,3'-1H-indole]-5-carboxylate?
The InChIKey is NLYGFTSQOACIJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25FN2O5/c1-3-33-20-13-10-17(11-14-20)23-27(21-16-18(28)12-15-22(21)29-26(27)32)24(25(31)34-4-2)35-30(23)19-8-6-5-7-9-19/h5-16,23-24H,3-4H2,1-2H3,(H,29,32).
What are the key properties of ethyl 3-(4-ethoxyphenyl)-5'-fluoro-2'-oxo-2-phenylspiro[1,2-oxazolidine-4,3'-1H-indole]-5-carboxylate?
ethyl 3-(4-ethoxyphenyl)-5'-fluoro-2'-oxo-2-phenylspiro[1,2-oxazolidine-4,3'-1H-indole]-5-carboxylate has a molecular weight of 476.50 g/mol, XLogP of 4.54, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-(4-ethoxyphenyl)-5'-fluoro-2'-oxo-2-phenylspiro[1,2-oxazolidine-4,3'-1H-indole]-5-carboxylate is sourced from PubChem (CID 90667834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).