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

C13H13N3O2 — CID 82478007

IUPAC5-(5-amino-1,2-oxazol-4-yl)-3,3-dimethyl-1H-indol-2-one
SMILESCC1(C)C(=O)Nc2ccc(-c3cnoc3N)cc21
InChIInChI=1S/C13H13N3O2/c1-13(2)9-5-7(8-6-15-18-11(8)14)3-4-10(9)16-12(13)17/h3-6H,14H2,1-2H3,(H,16,17)
InChIKeyYLUSBRZEAGCFIT-UHFFFAOYSA-N
MW243.27 g/mol
LogP2.15
Rot. Bonds1

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

5-(5-amino-1,2-oxazol-4-yl)-3,3-dimethyl-1H-indol-2-one (PubChem CID 82478007) has the molecular formula C13H13N3O2 and a molecular weight of 243.27 g/mol. Its IUPAC name is 5-(5-amino-1,2-oxazol-4-yl)-3,3-dimethyl-1H-indol-2-one.

Molecular Properties

Compound Name5-(5-amino-1,2-oxazol-4-yl)-3,3-dimethyl-1H-indol-2-one
PubChem CID82478007
Molecular FormulaC13H13N3O2
Molecular Weight243.27 g/mol
Exact Mass243.10
IUPAC Name5-(5-amino-1,2-oxazol-4-yl)-3,3-dimethyl-1H-indol-2-one
SMILESCC1(C)C(=O)Nc2ccc(-c3cnoc3N)cc21
InChIInChI=1S/C13H13N3O2/c1-13(2)9-5-7(8-6-15-18-11(8)14)3-4-10(9)16-12(13)17/h3-6H,14H2,1-2H3,(H,16,17)
InChIKeyYLUSBRZEAGCFIT-UHFFFAOYSA-N
XLogP2.15
TPSA81.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.27
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(5-amino-1,2-oxazol-4-yl)-3,3-dimethyl-1H-indol-2-one?
The IUPAC name of 5-(5-amino-1,2-oxazol-4-yl)-3,3-dimethyl-1H-indol-2-one (CID 82478007) is 5-(5-amino-1,2-oxazol-4-yl)-3,3-dimethyl-1H-indol-2-one.
What is the SMILES notation for 5-(5-amino-1,2-oxazol-4-yl)-3,3-dimethyl-1H-indol-2-one?
The canonical SMILES for 5-(5-amino-1,2-oxazol-4-yl)-3,3-dimethyl-1H-indol-2-one is CC1(C)C(=O)Nc2ccc(-c3cnoc3N)cc21.
What is the InChIKey of 5-(5-amino-1,2-oxazol-4-yl)-3,3-dimethyl-1H-indol-2-one?
The InChIKey is YLUSBRZEAGCFIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3O2/c1-13(2)9-5-7(8-6-15-18-11(8)14)3-4-10(9)16-12(13)17/h3-6H,14H2,1-2H3,(H,16,17).
What are the key properties of 5-(5-amino-1,2-oxazol-4-yl)-3,3-dimethyl-1H-indol-2-one?
5-(5-amino-1,2-oxazol-4-yl)-3,3-dimethyl-1H-indol-2-one has a molecular weight of 243.27 g/mol, XLogP of 2.15, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-amino-1,2-oxazol-4-yl)-3,3-dimethyl-1H-indol-2-one is sourced from PubChem (CID 82478007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).