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

C26H24N2O4 — CID 11327821

IUPACethyl (3R,5R)-3-(3-methylphenyl)-2'-oxo-2-phenylspiro[1,2-oxazolidine-4,3'-1H-indole]-5-carboxylate
SMILESCCOC(=O)[C@@H]1ON(c2ccccc2)[C@H](c2cccc(C)c2)C12C(=O)Nc1ccccc12
InChIInChI=1S/C26H24N2O4/c1-3-31-24(29)23-26(20-14-7-8-15-21(20)27-25(26)30)22(18-11-9-10-17(2)16-18)28(32-23)19-12-5-4-6-13-19/h4-16,22-23H,3H2,1-2H3,(H,27,30)/t22-,23+,26?/m1/s1
InChIKeyVUTGIDDNIWEICT-DBRKUKIDSA-N
MW428.49 g/mol
LogP4.31
Rot. Bonds4

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

ethyl (3R,5R)-3-(3-methylphenyl)-2'-oxo-2-phenylspiro[1,2-oxazolidine-4,3'-1H-indole]-5-carboxylate (PubChem CID 11327821) has the molecular formula C26H24N2O4 and a molecular weight of 428.49 g/mol. Its IUPAC name is ethyl (3R,5R)-3-(3-methylphenyl)-2'-oxo-2-phenylspiro[1,2-oxazolidine-4,3'-1H-indole]-5-carboxylate.

Molecular Properties

Compound Nameethyl (3R,5R)-3-(3-methylphenyl)-2'-oxo-2-phenylspiro[1,2-oxazolidine-4,3'-1H-indole]-5-carboxylate
PubChem CID11327821
Molecular FormulaC26H24N2O4
Molecular Weight428.49 g/mol
Exact Mass428.17
IUPAC Nameethyl (3R,5R)-3-(3-methylphenyl)-2'-oxo-2-phenylspiro[1,2-oxazolidine-4,3'-1H-indole]-5-carboxylate
SMILESCCOC(=O)[C@@H]1ON(c2ccccc2)[C@H](c2cccc(C)c2)C12C(=O)Nc1ccccc12
InChIInChI=1S/C26H24N2O4/c1-3-31-24(29)23-26(20-14-7-8-15-21(20)27-25(26)30)22(18-11-9-10-17(2)16-18)28(32-23)19-12-5-4-6-13-19/h4-16,22-23H,3H2,1-2H3,(H,27,30)/t22-,23+,26?/m1/s1
InChIKeyVUTGIDDNIWEICT-DBRKUKIDSA-N
XLogP4.31
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.49
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl (3R,5R)-3-(3-methylphenyl)-2'-oxo-2-phenylspiro[1,2-oxazolidine-4,3'-1H-indole]-5-carboxylate?
The IUPAC name of ethyl (3R,5R)-3-(3-methylphenyl)-2'-oxo-2-phenylspiro[1,2-oxazolidine-4,3'-1H-indole]-5-carboxylate (CID 11327821) is ethyl (3R,5R)-3-(3-methylphenyl)-2'-oxo-2-phenylspiro[1,2-oxazolidine-4,3'-1H-indole]-5-carboxylate.
What is the SMILES notation for ethyl (3R,5R)-3-(3-methylphenyl)-2'-oxo-2-phenylspiro[1,2-oxazolidine-4,3'-1H-indole]-5-carboxylate?
The canonical SMILES for ethyl (3R,5R)-3-(3-methylphenyl)-2'-oxo-2-phenylspiro[1,2-oxazolidine-4,3'-1H-indole]-5-carboxylate is CCOC(=O)[C@@H]1ON(c2ccccc2)[C@H](c2cccc(C)c2)C12C(=O)Nc1ccccc12.
What is the InChIKey of ethyl (3R,5R)-3-(3-methylphenyl)-2'-oxo-2-phenylspiro[1,2-oxazolidine-4,3'-1H-indole]-5-carboxylate?
The InChIKey is VUTGIDDNIWEICT-DBRKUKIDSA-N. The full InChI is InChI=1S/C26H24N2O4/c1-3-31-24(29)23-26(20-14-7-8-15-21(20)27-25(26)30)22(18-11-9-10-17(2)16-18)28(32-23)19-12-5-4-6-13-19/h4-16,22-23H,3H2,1-2H3,(H,27,30)/t22-,23+,26?/m1/s1.
What are the key properties of ethyl (3R,5R)-3-(3-methylphenyl)-2'-oxo-2-phenylspiro[1,2-oxazolidine-4,3'-1H-indole]-5-carboxylate?
ethyl (3R,5R)-3-(3-methylphenyl)-2'-oxo-2-phenylspiro[1,2-oxazolidine-4,3'-1H-indole]-5-carboxylate has a molecular weight of 428.49 g/mol, XLogP of 4.31, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (3R,5R)-3-(3-methylphenyl)-2'-oxo-2-phenylspiro[1,2-oxazolidine-4,3'-1H-indole]-5-carboxylate is sourced from PubChem (CID 11327821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).