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

C17H18N2O3 — CID 86282860

IUPAC5-(3,5-dimethyl-1,2-oxazol-4-yl)-3-hydroxy-3-(2-methylprop-2-enyl)-1H-indol-2-one
SMILESC=C(C)CC1(O)C(=O)Nc2ccc(-c3c(C)noc3C)cc21
InChIInChI=1S/C17H18N2O3/c1-9(2)8-17(21)13-7-12(5-6-14(13)18-16(17)20)15-10(3)19-22-11(15)4/h5-7,21H,1,8H2,2-4H3,(H,18,20)
InChIKeyYTWUXDPCRXLACV-UHFFFAOYSA-N
MW298.34 g/mol
LogP3.06
Rot. Bonds3

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

5-(3,5-dimethyl-1,2-oxazol-4-yl)-3-hydroxy-3-(2-methylprop-2-enyl)-1H-indol-2-one (PubChem CID 86282860) has the molecular formula C17H18N2O3 and a molecular weight of 298.34 g/mol. Its IUPAC name is 5-(3,5-dimethyl-1,2-oxazol-4-yl)-3-hydroxy-3-(2-methylprop-2-enyl)-1H-indol-2-one.

Molecular Properties

Compound Name5-(3,5-dimethyl-1,2-oxazol-4-yl)-3-hydroxy-3-(2-methylprop-2-enyl)-1H-indol-2-one
PubChem CID86282860
Molecular FormulaC17H18N2O3
Molecular Weight298.34 g/mol
Exact Mass298.13
IUPAC Name5-(3,5-dimethyl-1,2-oxazol-4-yl)-3-hydroxy-3-(2-methylprop-2-enyl)-1H-indol-2-one
SMILESC=C(C)CC1(O)C(=O)Nc2ccc(-c3c(C)noc3C)cc21
InChIInChI=1S/C17H18N2O3/c1-9(2)8-17(21)13-7-12(5-6-14(13)18-16(17)20)15-10(3)19-22-11(15)4/h5-7,21H,1,8H2,2-4H3,(H,18,20)
InChIKeyYTWUXDPCRXLACV-UHFFFAOYSA-N
XLogP3.06
TPSA75.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
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'}

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Frequently Asked Questions

What is the IUPAC name of 5-(3,5-dimethyl-1,2-oxazol-4-yl)-3-hydroxy-3-(2-methylprop-2-enyl)-1H-indol-2-one?
The IUPAC name of 5-(3,5-dimethyl-1,2-oxazol-4-yl)-3-hydroxy-3-(2-methylprop-2-enyl)-1H-indol-2-one (CID 86282860) is 5-(3,5-dimethyl-1,2-oxazol-4-yl)-3-hydroxy-3-(2-methylprop-2-enyl)-1H-indol-2-one.
What is the SMILES notation for 5-(3,5-dimethyl-1,2-oxazol-4-yl)-3-hydroxy-3-(2-methylprop-2-enyl)-1H-indol-2-one?
The canonical SMILES for 5-(3,5-dimethyl-1,2-oxazol-4-yl)-3-hydroxy-3-(2-methylprop-2-enyl)-1H-indol-2-one is C=C(C)CC1(O)C(=O)Nc2ccc(-c3c(C)noc3C)cc21.
What is the InChIKey of 5-(3,5-dimethyl-1,2-oxazol-4-yl)-3-hydroxy-3-(2-methylprop-2-enyl)-1H-indol-2-one?
The InChIKey is YTWUXDPCRXLACV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O3/c1-9(2)8-17(21)13-7-12(5-6-14(13)18-16(17)20)15-10(3)19-22-11(15)4/h5-7,21H,1,8H2,2-4H3,(H,18,20).
What are the key properties of 5-(3,5-dimethyl-1,2-oxazol-4-yl)-3-hydroxy-3-(2-methylprop-2-enyl)-1H-indol-2-one?
5-(3,5-dimethyl-1,2-oxazol-4-yl)-3-hydroxy-3-(2-methylprop-2-enyl)-1H-indol-2-one has a molecular weight of 298.34 g/mol, XLogP of 3.06, 3 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-hydroxy-3-(2-methylprop-2-enyl)-1H-indol-2-one is sourced from PubChem (CID 86282860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).