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

C25H21BrN2O4 — CID 72758659

IUPACethyl 3-(4-bromophenyl)-2'-oxo-2-phenylspiro[1,2-oxazolidine-5,3'-1H-indole]-4-carboxylate
SMILESCCOC(=O)C1C(c2ccc(Br)cc2)N(c2ccccc2)OC12C(=O)Nc1ccccc12
InChIInChI=1S/C25H21BrN2O4/c1-2-31-23(29)21-22(16-12-14-17(26)15-13-16)28(18-8-4-3-5-9-18)32-25(21)19-10-6-7-11-20(19)27-24(25)30/h3-15,21-22H,2H2,1H3,(H,27,30)
InChIKeyRIHPGEQRXLDFCB-UHFFFAOYSA-N
MW493.36 g/mol
LogP4.97
Rot. Bonds4

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

ethyl 3-(4-bromophenyl)-2'-oxo-2-phenylspiro[1,2-oxazolidine-5,3'-1H-indole]-4-carboxylate (PubChem CID 72758659) has the molecular formula C25H21BrN2O4 and a molecular weight of 493.36 g/mol. Its IUPAC name is ethyl 3-(4-bromophenyl)-2'-oxo-2-phenylspiro[1,2-oxazolidine-5,3'-1H-indole]-4-carboxylate.

Molecular Properties

Compound Nameethyl 3-(4-bromophenyl)-2'-oxo-2-phenylspiro[1,2-oxazolidine-5,3'-1H-indole]-4-carboxylate
PubChem CID72758659
Molecular FormulaC25H21BrN2O4
Molecular Weight493.36 g/mol
Exact Mass492.07
IUPAC Nameethyl 3-(4-bromophenyl)-2'-oxo-2-phenylspiro[1,2-oxazolidine-5,3'-1H-indole]-4-carboxylate
SMILESCCOC(=O)C1C(c2ccc(Br)cc2)N(c2ccccc2)OC12C(=O)Nc1ccccc12
InChIInChI=1S/C25H21BrN2O4/c1-2-31-23(29)21-22(16-12-14-17(26)15-13-16)28(18-8-4-3-5-9-18)32-25(21)19-10-6-7-11-20(19)27-24(25)30/h3-15,21-22H,2H2,1H3,(H,27,30)
InChIKeyRIHPGEQRXLDFCB-UHFFFAOYSA-N
XLogP4.97
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500493.36
LogP ≤ 54.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 3-(4-bromophenyl)-2'-oxo-2-phenylspiro[1,2-oxazolidine-5,3'-1H-indole]-4-carboxylate?
The IUPAC name of ethyl 3-(4-bromophenyl)-2'-oxo-2-phenylspiro[1,2-oxazolidine-5,3'-1H-indole]-4-carboxylate (CID 72758659) is ethyl 3-(4-bromophenyl)-2'-oxo-2-phenylspiro[1,2-oxazolidine-5,3'-1H-indole]-4-carboxylate.
What is the SMILES notation for ethyl 3-(4-bromophenyl)-2'-oxo-2-phenylspiro[1,2-oxazolidine-5,3'-1H-indole]-4-carboxylate?
The canonical SMILES for ethyl 3-(4-bromophenyl)-2'-oxo-2-phenylspiro[1,2-oxazolidine-5,3'-1H-indole]-4-carboxylate is CCOC(=O)C1C(c2ccc(Br)cc2)N(c2ccccc2)OC12C(=O)Nc1ccccc12.
What is the InChIKey of ethyl 3-(4-bromophenyl)-2'-oxo-2-phenylspiro[1,2-oxazolidine-5,3'-1H-indole]-4-carboxylate?
The InChIKey is RIHPGEQRXLDFCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21BrN2O4/c1-2-31-23(29)21-22(16-12-14-17(26)15-13-16)28(18-8-4-3-5-9-18)32-25(21)19-10-6-7-11-20(19)27-24(25)30/h3-15,21-22H,2H2,1H3,(H,27,30).
What are the key properties of ethyl 3-(4-bromophenyl)-2'-oxo-2-phenylspiro[1,2-oxazolidine-5,3'-1H-indole]-4-carboxylate?
ethyl 3-(4-bromophenyl)-2'-oxo-2-phenylspiro[1,2-oxazolidine-5,3'-1H-indole]-4-carboxylate has a molecular weight of 493.36 g/mol, XLogP of 4.97, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-(4-bromophenyl)-2'-oxo-2-phenylspiro[1,2-oxazolidine-5,3'-1H-indole]-4-carboxylate is sourced from PubChem (CID 72758659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).