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

C16H16N2O3 — CID 86282725

IUPAC5-(3,5-dimethyl-1,2-oxazol-4-yl)-3-hydroxy-3-prop-2-enyl-1H-indol-2-one
SMILESC=CCC1(O)C(=O)Nc2ccc(-c3c(C)noc3C)cc21
InChIInChI=1S/C16H16N2O3/c1-4-7-16(20)12-8-11(5-6-13(12)17-15(16)19)14-9(2)18-21-10(14)3/h4-6,8,20H,1,7H2,2-3H3,(H,17,19)
InChIKeyVXKBVOSWIWXJMO-UHFFFAOYSA-N
MW284.32 g/mol
LogP2.67
Rot. Bonds3

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

5-(3,5-dimethyl-1,2-oxazol-4-yl)-3-hydroxy-3-prop-2-enyl-1H-indol-2-one (PubChem CID 86282725) has the molecular formula C16H16N2O3 and a molecular weight of 284.32 g/mol. Its IUPAC name is 5-(3,5-dimethyl-1,2-oxazol-4-yl)-3-hydroxy-3-prop-2-enyl-1H-indol-2-one.

Molecular Properties

Compound Name5-(3,5-dimethyl-1,2-oxazol-4-yl)-3-hydroxy-3-prop-2-enyl-1H-indol-2-one
PubChem CID86282725
Molecular FormulaC16H16N2O3
Molecular Weight284.32 g/mol
Exact Mass284.12
IUPAC Name5-(3,5-dimethyl-1,2-oxazol-4-yl)-3-hydroxy-3-prop-2-enyl-1H-indol-2-one
SMILESC=CCC1(O)C(=O)Nc2ccc(-c3c(C)noc3C)cc21
InChIInChI=1S/C16H16N2O3/c1-4-7-16(20)12-8-11(5-6-13(12)17-15(16)19)14-9(2)18-21-10(14)3/h4-6,8,20H,1,7H2,2-3H3,(H,17,19)
InChIKeyVXKBVOSWIWXJMO-UHFFFAOYSA-N
XLogP2.67
TPSA75.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.32
LogP ≤ 52.67
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-prop-2-enyl-1H-indol-2-one?
The IUPAC name of 5-(3,5-dimethyl-1,2-oxazol-4-yl)-3-hydroxy-3-prop-2-enyl-1H-indol-2-one (CID 86282725) is 5-(3,5-dimethyl-1,2-oxazol-4-yl)-3-hydroxy-3-prop-2-enyl-1H-indol-2-one.
What is the SMILES notation for 5-(3,5-dimethyl-1,2-oxazol-4-yl)-3-hydroxy-3-prop-2-enyl-1H-indol-2-one?
The canonical SMILES for 5-(3,5-dimethyl-1,2-oxazol-4-yl)-3-hydroxy-3-prop-2-enyl-1H-indol-2-one is C=CCC1(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-prop-2-enyl-1H-indol-2-one?
The InChIKey is VXKBVOSWIWXJMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O3/c1-4-7-16(20)12-8-11(5-6-13(12)17-15(16)19)14-9(2)18-21-10(14)3/h4-6,8,20H,1,7H2,2-3H3,(H,17,19).
What are the key properties of 5-(3,5-dimethyl-1,2-oxazol-4-yl)-3-hydroxy-3-prop-2-enyl-1H-indol-2-one?
5-(3,5-dimethyl-1,2-oxazol-4-yl)-3-hydroxy-3-prop-2-enyl-1H-indol-2-one has a molecular weight of 284.32 g/mol, XLogP of 2.67, 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-prop-2-enyl-1H-indol-2-one is sourced from PubChem (CID 86282725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).