(5R)-3-(4-ethylphenyl)-1',3',3'-trimethylspiro[4H-1,2-oxazole-5,2'-indole]

C21H24N2O — CID 7395695

IUPAC(5R)-3-(4-ethylphenyl)-1',3',3'-trimethylspiro[4H-1,2-oxazole-5,2'-indole]
SMILESCCc1ccc(C2=NO[C@@]3(C2)N(C)c2ccccc2C3(C)C)cc1
InChIInChI=1S/C21H24N2O/c1-5-15-10-12-16(13-11-15)18-14-21(24-22-18)20(2,3)17-8-6-7-9-19(17)23(21)4/h6-13H,5,14H2,1-4H3/t21-/m1/s1
InChIKeyNEDLIHYJQXMIJR-OAQYLSRUSA-N
MW320.44 g/mol
LogP4.50
Rot. Bonds2

About (5R)-3-(4-ethylphenyl)-1',3',3'-trimethylspiro[4H-1,2-oxazole-5,2'-indole]

(5R)-3-(4-ethylphenyl)-1',3',3'-trimethylspiro[4H-1,2-oxazole-5,2'-indole] (PubChem CID 7395695) has the molecular formula C21H24N2O and a molecular weight of 320.44 g/mol. Its IUPAC name is (5R)-3-(4-ethylphenyl)-1',3',3'-trimethylspiro[4H-1,2-oxazole-5,2'-indole].

Molecular Properties

Compound Name(5R)-3-(4-ethylphenyl)-1',3',3'-trimethylspiro[4H-1,2-oxazole-5,2'-indole]
PubChem CID7395695
Molecular FormulaC21H24N2O
Molecular Weight320.44 g/mol
Exact Mass320.19
IUPAC Name(5R)-3-(4-ethylphenyl)-1',3',3'-trimethylspiro[4H-1,2-oxazole-5,2'-indole]
SMILESCCc1ccc(C2=NO[C@@]3(C2)N(C)c2ccccc2C3(C)C)cc1
InChIInChI=1S/C21H24N2O/c1-5-15-10-12-16(13-11-15)18-14-21(24-22-18)20(2,3)17-8-6-7-9-19(17)23(21)4/h6-13H,5,14H2,1-4H3/t21-/m1/s1
InChIKeyNEDLIHYJQXMIJR-OAQYLSRUSA-N
XLogP4.50
TPSA24.83 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.44
LogP ≤ 54.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (5R)-3-(4-ethylphenyl)-1',3',3'-trimethylspiro[4H-1,2-oxazole-5,2'-indole]?
The IUPAC name of (5R)-3-(4-ethylphenyl)-1',3',3'-trimethylspiro[4H-1,2-oxazole-5,2'-indole] (CID 7395695) is (5R)-3-(4-ethylphenyl)-1',3',3'-trimethylspiro[4H-1,2-oxazole-5,2'-indole].
What is the SMILES notation for (5R)-3-(4-ethylphenyl)-1',3',3'-trimethylspiro[4H-1,2-oxazole-5,2'-indole]?
The canonical SMILES for (5R)-3-(4-ethylphenyl)-1',3',3'-trimethylspiro[4H-1,2-oxazole-5,2'-indole] is CCc1ccc(C2=NO[C@@]3(C2)N(C)c2ccccc2C3(C)C)cc1.
What is the InChIKey of (5R)-3-(4-ethylphenyl)-1',3',3'-trimethylspiro[4H-1,2-oxazole-5,2'-indole]?
The InChIKey is NEDLIHYJQXMIJR-OAQYLSRUSA-N. The full InChI is InChI=1S/C21H24N2O/c1-5-15-10-12-16(13-11-15)18-14-21(24-22-18)20(2,3)17-8-6-7-9-19(17)23(21)4/h6-13H,5,14H2,1-4H3/t21-/m1/s1.
What are the key properties of (5R)-3-(4-ethylphenyl)-1',3',3'-trimethylspiro[4H-1,2-oxazole-5,2'-indole]?
(5R)-3-(4-ethylphenyl)-1',3',3'-trimethylspiro[4H-1,2-oxazole-5,2'-indole] has a molecular weight of 320.44 g/mol, XLogP of 4.50, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-3-(4-ethylphenyl)-1',3',3'-trimethylspiro[4H-1,2-oxazole-5,2'-indole] is sourced from PubChem (CID 7395695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).