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

C25H21N3O6 — CID 72958682

IUPACethyl 3-(4-nitrophenyl)-2'-oxo-2-phenylspiro[1,2-oxazolidine-5,3'-1H-indole]-4-carboxylate
SMILESCCOC(=O)C1C(c2ccc([N+](=O)[O-])cc2)N(c2ccccc2)OC12C(=O)Nc1ccccc12
InChIInChI=1S/C25H21N3O6/c1-2-33-23(29)21-22(16-12-14-18(15-13-16)28(31)32)27(17-8-4-3-5-9-17)34-25(21)19-10-6-7-11-20(19)26-24(25)30/h3-15,21-22H,2H2,1H3,(H,26,30)
InChIKeyQVWNIVGEFNMABY-UHFFFAOYSA-N
MW459.46 g/mol
LogP4.11
Rot. Bonds5

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

ethyl 3-(4-nitrophenyl)-2'-oxo-2-phenylspiro[1,2-oxazolidine-5,3'-1H-indole]-4-carboxylate (PubChem CID 72958682) has the molecular formula C25H21N3O6 and a molecular weight of 459.46 g/mol. Its IUPAC name is ethyl 3-(4-nitrophenyl)-2'-oxo-2-phenylspiro[1,2-oxazolidine-5,3'-1H-indole]-4-carboxylate.

Molecular Properties

Compound Nameethyl 3-(4-nitrophenyl)-2'-oxo-2-phenylspiro[1,2-oxazolidine-5,3'-1H-indole]-4-carboxylate
PubChem CID72958682
Molecular FormulaC25H21N3O6
Molecular Weight459.46 g/mol
Exact Mass459.14
IUPAC Nameethyl 3-(4-nitrophenyl)-2'-oxo-2-phenylspiro[1,2-oxazolidine-5,3'-1H-indole]-4-carboxylate
SMILESCCOC(=O)C1C(c2ccc([N+](=O)[O-])cc2)N(c2ccccc2)OC12C(=O)Nc1ccccc12
InChIInChI=1S/C25H21N3O6/c1-2-33-23(29)21-22(16-12-14-18(15-13-16)28(31)32)27(17-8-4-3-5-9-17)34-25(21)19-10-6-7-11-20(19)26-24(25)30/h3-15,21-22H,2H2,1H3,(H,26,30)
InChIKeyQVWNIVGEFNMABY-UHFFFAOYSA-N
XLogP4.11
TPSA111.01 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.46
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

CID 72758659
CID 72758659
CID 72772854
CID 72772854
CID 72773461
CID 72773461
CID 72777634
CID 72777634
CID 72777635
CID 72777635
CID 72777896
CID 72777896
CID 72798479
CID 72798479
CID 72802940
CID 72802940
CID 72812394
CID 72812394
CID 72812652
CID 72812652
CID 72817113
CID 72817113
CID 72826189
CID 72826189

Frequently Asked Questions

What is the IUPAC name of ethyl 3-(4-nitrophenyl)-2'-oxo-2-phenylspiro[1,2-oxazolidine-5,3'-1H-indole]-4-carboxylate?
The IUPAC name of ethyl 3-(4-nitrophenyl)-2'-oxo-2-phenylspiro[1,2-oxazolidine-5,3'-1H-indole]-4-carboxylate (CID 72958682) is ethyl 3-(4-nitrophenyl)-2'-oxo-2-phenylspiro[1,2-oxazolidine-5,3'-1H-indole]-4-carboxylate.
What is the SMILES notation for ethyl 3-(4-nitrophenyl)-2'-oxo-2-phenylspiro[1,2-oxazolidine-5,3'-1H-indole]-4-carboxylate?
The canonical SMILES for ethyl 3-(4-nitrophenyl)-2'-oxo-2-phenylspiro[1,2-oxazolidine-5,3'-1H-indole]-4-carboxylate is CCOC(=O)C1C(c2ccc([N+](=O)[O-])cc2)N(c2ccccc2)OC12C(=O)Nc1ccccc12.
What is the InChIKey of ethyl 3-(4-nitrophenyl)-2'-oxo-2-phenylspiro[1,2-oxazolidine-5,3'-1H-indole]-4-carboxylate?
The InChIKey is QVWNIVGEFNMABY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21N3O6/c1-2-33-23(29)21-22(16-12-14-18(15-13-16)28(31)32)27(17-8-4-3-5-9-17)34-25(21)19-10-6-7-11-20(19)26-24(25)30/h3-15,21-22H,2H2,1H3,(H,26,30).
What are the key properties of ethyl 3-(4-nitrophenyl)-2'-oxo-2-phenylspiro[1,2-oxazolidine-5,3'-1H-indole]-4-carboxylate?
ethyl 3-(4-nitrophenyl)-2'-oxo-2-phenylspiro[1,2-oxazolidine-5,3'-1H-indole]-4-carboxylate has a molecular weight of 459.46 g/mol, XLogP of 4.11, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-(4-nitrophenyl)-2'-oxo-2-phenylspiro[1,2-oxazolidine-5,3'-1H-indole]-4-carboxylate is sourced from PubChem (CID 72958682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).