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

C27H25FN2O6 — CID 71476438

IUPACethyl 3-(2,3-dimethoxyphenyl)-5'-fluoro-2'-oxo-2-phenylspiro[1,2-oxazolidine-4,3'-1H-indole]-5-carboxylate
SMILESCCOC(=O)C1ON(c2ccccc2)C(c2cccc(OC)c2OC)C12C(=O)Nc1ccc(F)cc12
InChIInChI=1S/C27H25FN2O6/c1-4-35-25(31)24-27(19-15-16(28)13-14-20(19)29-26(27)32)23(30(36-24)17-9-6-5-7-10-17)18-11-8-12-21(33-2)22(18)34-3/h5-15,23-24H,4H2,1-3H3,(H,29,32)
InChIKeyZCJTXBAFYCPGNB-UHFFFAOYSA-N
MW492.50 g/mol
LogP4.16
Rot. Bonds6

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

ethyl 3-(2,3-dimethoxyphenyl)-5'-fluoro-2'-oxo-2-phenylspiro[1,2-oxazolidine-4,3'-1H-indole]-5-carboxylate (PubChem CID 71476438) has the molecular formula C27H25FN2O6 and a molecular weight of 492.50 g/mol. Its IUPAC name is ethyl 3-(2,3-dimethoxyphenyl)-5'-fluoro-2'-oxo-2-phenylspiro[1,2-oxazolidine-4,3'-1H-indole]-5-carboxylate.

Molecular Properties

Compound Nameethyl 3-(2,3-dimethoxyphenyl)-5'-fluoro-2'-oxo-2-phenylspiro[1,2-oxazolidine-4,3'-1H-indole]-5-carboxylate
PubChem CID71476438
Molecular FormulaC27H25FN2O6
Molecular Weight492.50 g/mol
Exact Mass492.17
IUPAC Nameethyl 3-(2,3-dimethoxyphenyl)-5'-fluoro-2'-oxo-2-phenylspiro[1,2-oxazolidine-4,3'-1H-indole]-5-carboxylate
SMILESCCOC(=O)C1ON(c2ccccc2)C(c2cccc(OC)c2OC)C12C(=O)Nc1ccc(F)cc12
InChIInChI=1S/C27H25FN2O6/c1-4-35-25(31)24-27(19-15-16(28)13-14-20(19)29-26(27)32)23(30(36-24)17-9-6-5-7-10-17)18-11-8-12-21(33-2)22(18)34-3/h5-15,23-24H,4H2,1-3H3,(H,29,32)
InChIKeyZCJTXBAFYCPGNB-UHFFFAOYSA-N
XLogP4.16
TPSA86.33 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500492.50
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze ethyl 3-(2,3-dimethoxyphenyl)-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-(2,3-dimethoxyphenyl)-5'-fluoro-2'-oxo-2-phenylspiro[1,2-oxazolidine-4,3'-1H-indole]-5-carboxylate?
The IUPAC name of ethyl 3-(2,3-dimethoxyphenyl)-5'-fluoro-2'-oxo-2-phenylspiro[1,2-oxazolidine-4,3'-1H-indole]-5-carboxylate (CID 71476438) is ethyl 3-(2,3-dimethoxyphenyl)-5'-fluoro-2'-oxo-2-phenylspiro[1,2-oxazolidine-4,3'-1H-indole]-5-carboxylate.
What is the SMILES notation for ethyl 3-(2,3-dimethoxyphenyl)-5'-fluoro-2'-oxo-2-phenylspiro[1,2-oxazolidine-4,3'-1H-indole]-5-carboxylate?
The canonical SMILES for ethyl 3-(2,3-dimethoxyphenyl)-5'-fluoro-2'-oxo-2-phenylspiro[1,2-oxazolidine-4,3'-1H-indole]-5-carboxylate is CCOC(=O)C1ON(c2ccccc2)C(c2cccc(OC)c2OC)C12C(=O)Nc1ccc(F)cc12.
What is the InChIKey of ethyl 3-(2,3-dimethoxyphenyl)-5'-fluoro-2'-oxo-2-phenylspiro[1,2-oxazolidine-4,3'-1H-indole]-5-carboxylate?
The InChIKey is ZCJTXBAFYCPGNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25FN2O6/c1-4-35-25(31)24-27(19-15-16(28)13-14-20(19)29-26(27)32)23(30(36-24)17-9-6-5-7-10-17)18-11-8-12-21(33-2)22(18)34-3/h5-15,23-24H,4H2,1-3H3,(H,29,32).
What are the key properties of ethyl 3-(2,3-dimethoxyphenyl)-5'-fluoro-2'-oxo-2-phenylspiro[1,2-oxazolidine-4,3'-1H-indole]-5-carboxylate?
ethyl 3-(2,3-dimethoxyphenyl)-5'-fluoro-2'-oxo-2-phenylspiro[1,2-oxazolidine-4,3'-1H-indole]-5-carboxylate has a molecular weight of 492.50 g/mol, XLogP of 4.16, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-(2,3-dimethoxyphenyl)-5'-fluoro-2'-oxo-2-phenylspiro[1,2-oxazolidine-4,3'-1H-indole]-5-carboxylate is sourced from PubChem (CID 71476438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).