3-but-3-enyl-5-(3,5-dimethyl-1,2-oxazol-4-yl)-3-hydroxy-1H-indol-2-one

C17H18N2O3 — CID 86282726

IUPAC3-but-3-enyl-5-(3,5-dimethyl-1,2-oxazol-4-yl)-3-hydroxy-1H-indol-2-one
SMILESC=CCCC1(O)C(=O)Nc2ccc(-c3c(C)noc3C)cc21
InChIInChI=1S/C17H18N2O3/c1-4-5-8-17(21)13-9-12(6-7-14(13)18-16(17)20)15-10(2)19-22-11(15)3/h4,6-7,9,21H,1,5,8H2,2-3H3,(H,18,20)
InChIKeyQTZOGOQFPHSJMJ-UHFFFAOYSA-N
MW298.34 g/mol
LogP3.06
Rot. Bonds4

About 3-but-3-enyl-5-(3,5-dimethyl-1,2-oxazol-4-yl)-3-hydroxy-1H-indol-2-one

3-but-3-enyl-5-(3,5-dimethyl-1,2-oxazol-4-yl)-3-hydroxy-1H-indol-2-one (PubChem CID 86282726) has the molecular formula C17H18N2O3 and a molecular weight of 298.34 g/mol. Its IUPAC name is 3-but-3-enyl-5-(3,5-dimethyl-1,2-oxazol-4-yl)-3-hydroxy-1H-indol-2-one.

Molecular Properties

Compound Name3-but-3-enyl-5-(3,5-dimethyl-1,2-oxazol-4-yl)-3-hydroxy-1H-indol-2-one
PubChem CID86282726
Molecular FormulaC17H18N2O3
Molecular Weight298.34 g/mol
Exact Mass298.13
IUPAC Name3-but-3-enyl-5-(3,5-dimethyl-1,2-oxazol-4-yl)-3-hydroxy-1H-indol-2-one
SMILESC=CCCC1(O)C(=O)Nc2ccc(-c3c(C)noc3C)cc21
InChIInChI=1S/C17H18N2O3/c1-4-5-8-17(21)13-9-12(6-7-14(13)18-16(17)20)15-10(2)19-22-11(15)3/h4,6-7,9,21H,1,5,8H2,2-3H3,(H,18,20)
InChIKeyQTZOGOQFPHSJMJ-UHFFFAOYSA-N
XLogP3.06
TPSA75.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.34
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 3-but-3-enyl-5-(3,5-dimethyl-1,2-oxazol-4-yl)-3-hydroxy-1H-indol-2-one with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-but-3-enyl-5-(3,5-dimethyl-1,2-oxazol-4-yl)-3-hydroxy-1H-indol-2-one?
The IUPAC name of 3-but-3-enyl-5-(3,5-dimethyl-1,2-oxazol-4-yl)-3-hydroxy-1H-indol-2-one (CID 86282726) is 3-but-3-enyl-5-(3,5-dimethyl-1,2-oxazol-4-yl)-3-hydroxy-1H-indol-2-one.
What is the SMILES notation for 3-but-3-enyl-5-(3,5-dimethyl-1,2-oxazol-4-yl)-3-hydroxy-1H-indol-2-one?
The canonical SMILES for 3-but-3-enyl-5-(3,5-dimethyl-1,2-oxazol-4-yl)-3-hydroxy-1H-indol-2-one is C=CCCC1(O)C(=O)Nc2ccc(-c3c(C)noc3C)cc21.
What is the InChIKey of 3-but-3-enyl-5-(3,5-dimethyl-1,2-oxazol-4-yl)-3-hydroxy-1H-indol-2-one?
The InChIKey is QTZOGOQFPHSJMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O3/c1-4-5-8-17(21)13-9-12(6-7-14(13)18-16(17)20)15-10(2)19-22-11(15)3/h4,6-7,9,21H,1,5,8H2,2-3H3,(H,18,20).
What are the key properties of 3-but-3-enyl-5-(3,5-dimethyl-1,2-oxazol-4-yl)-3-hydroxy-1H-indol-2-one?
3-but-3-enyl-5-(3,5-dimethyl-1,2-oxazol-4-yl)-3-hydroxy-1H-indol-2-one has a molecular weight of 298.34 g/mol, XLogP of 3.06, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-but-3-enyl-5-(3,5-dimethyl-1,2-oxazol-4-yl)-3-hydroxy-1H-indol-2-one is sourced from PubChem (CID 86282726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).