5-(3,5-dimethyl-1,2-oxazol-4-yl)-3-(2-hydroxyethyl)-3-phenyl-1H-indol-2-one

C21H20N2O3 — CID 86281901

IUPAC5-(3,5-dimethyl-1,2-oxazol-4-yl)-3-(2-hydroxyethyl)-3-phenyl-1H-indol-2-one
SMILESCc1noc(C)c1-c1ccc2c(c1)C(CCO)(c1ccccc1)C(=O)N2
InChIInChI=1S/C21H20N2O3/c1-13-19(14(2)26-23-13)15-8-9-18-17(12-15)21(10-11-24,20(25)22-18)16-6-4-3-5-7-16/h3-9,12,24H,10-11H2,1-2H3,(H,22,25)
InChIKeyWIPIXNYIZGZLMM-UHFFFAOYSA-N
MW348.40 g/mol
LogP3.58
Rot. Bonds4

About 5-(3,5-dimethyl-1,2-oxazol-4-yl)-3-(2-hydroxyethyl)-3-phenyl-1H-indol-2-one

5-(3,5-dimethyl-1,2-oxazol-4-yl)-3-(2-hydroxyethyl)-3-phenyl-1H-indol-2-one (PubChem CID 86281901) has the molecular formula C21H20N2O3 and a molecular weight of 348.40 g/mol. Its IUPAC name is 5-(3,5-dimethyl-1,2-oxazol-4-yl)-3-(2-hydroxyethyl)-3-phenyl-1H-indol-2-one.

Molecular Properties

Compound Name5-(3,5-dimethyl-1,2-oxazol-4-yl)-3-(2-hydroxyethyl)-3-phenyl-1H-indol-2-one
PubChem CID86281901
Molecular FormulaC21H20N2O3
Molecular Weight348.40 g/mol
Exact Mass348.15
IUPAC Name5-(3,5-dimethyl-1,2-oxazol-4-yl)-3-(2-hydroxyethyl)-3-phenyl-1H-indol-2-one
SMILESCc1noc(C)c1-c1ccc2c(c1)C(CCO)(c1ccccc1)C(=O)N2
InChIInChI=1S/C21H20N2O3/c1-13-19(14(2)26-23-13)15-8-9-18-17(12-15)21(10-11-24,20(25)22-18)16-6-4-3-5-7-16/h3-9,12,24H,10-11H2,1-2H3,(H,22,25)
InChIKeyWIPIXNYIZGZLMM-UHFFFAOYSA-N
XLogP3.58
TPSA75.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.40
LogP ≤ 53.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(3,5-dimethyl-1,2-oxazol-4-yl)-3-(2-hydroxyethyl)-3-phenyl-1H-indol-2-one?
The IUPAC name of 5-(3,5-dimethyl-1,2-oxazol-4-yl)-3-(2-hydroxyethyl)-3-phenyl-1H-indol-2-one (CID 86281901) is 5-(3,5-dimethyl-1,2-oxazol-4-yl)-3-(2-hydroxyethyl)-3-phenyl-1H-indol-2-one.
What is the SMILES notation for 5-(3,5-dimethyl-1,2-oxazol-4-yl)-3-(2-hydroxyethyl)-3-phenyl-1H-indol-2-one?
The canonical SMILES for 5-(3,5-dimethyl-1,2-oxazol-4-yl)-3-(2-hydroxyethyl)-3-phenyl-1H-indol-2-one is Cc1noc(C)c1-c1ccc2c(c1)C(CCO)(c1ccccc1)C(=O)N2.
What is the InChIKey of 5-(3,5-dimethyl-1,2-oxazol-4-yl)-3-(2-hydroxyethyl)-3-phenyl-1H-indol-2-one?
The InChIKey is WIPIXNYIZGZLMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N2O3/c1-13-19(14(2)26-23-13)15-8-9-18-17(12-15)21(10-11-24,20(25)22-18)16-6-4-3-5-7-16/h3-9,12,24H,10-11H2,1-2H3,(H,22,25).
What are the key properties of 5-(3,5-dimethyl-1,2-oxazol-4-yl)-3-(2-hydroxyethyl)-3-phenyl-1H-indol-2-one?
5-(3,5-dimethyl-1,2-oxazol-4-yl)-3-(2-hydroxyethyl)-3-phenyl-1H-indol-2-one has a molecular weight of 348.40 g/mol, XLogP of 3.58, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,5-dimethyl-1,2-oxazol-4-yl)-3-(2-hydroxyethyl)-3-phenyl-1H-indol-2-one is sourced from PubChem (CID 86281901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).