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

C13H13N3O2 — CID 82478006

IUPAC5-(5-amino-1,2-oxazol-3-yl)-3,3-dimethyl-1H-indol-2-one
SMILESCC1(C)C(=O)Nc2ccc(-c3cc(N)on3)cc21
InChIInChI=1S/C13H13N3O2/c1-13(2)8-5-7(10-6-11(14)18-16-10)3-4-9(8)15-12(13)17/h3-6H,14H2,1-2H3,(H,15,17)
InChIKeyRGUGLZLAZOZTAQ-UHFFFAOYSA-N
MW243.27 g/mol
LogP2.15
Rot. Bonds1

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

5-(5-amino-1,2-oxazol-3-yl)-3,3-dimethyl-1H-indol-2-one (PubChem CID 82478006) has the molecular formula C13H13N3O2 and a molecular weight of 243.27 g/mol. Its IUPAC name is 5-(5-amino-1,2-oxazol-3-yl)-3,3-dimethyl-1H-indol-2-one.

Molecular Properties

Compound Name5-(5-amino-1,2-oxazol-3-yl)-3,3-dimethyl-1H-indol-2-one
PubChem CID82478006
Molecular FormulaC13H13N3O2
Molecular Weight243.27 g/mol
Exact Mass243.10
IUPAC Name5-(5-amino-1,2-oxazol-3-yl)-3,3-dimethyl-1H-indol-2-one
SMILESCC1(C)C(=O)Nc2ccc(-c3cc(N)on3)cc21
InChIInChI=1S/C13H13N3O2/c1-13(2)8-5-7(10-6-11(14)18-16-10)3-4-9(8)15-12(13)17/h3-6H,14H2,1-2H3,(H,15,17)
InChIKeyRGUGLZLAZOZTAQ-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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Related Compounds

5-(3-amino-1,2,4-triazin-5-yl)-3,3-dimethyl-1H-indol-2-one
CID 82482219
5-(5-amino-1,2-oxazol-4-yl)-3,3-dimethyl-1H-indol-2-one
CID 82478007
5-[3-(dimethylamino)-1,2,4-oxadiazol-5-yl]-3,3-dimethyl-1H-indol-2-one
CID 127614452
5-(5-aminothiophen-2-yl)-3,3-dimethyl-1H-indol-2-one
CID 82483609
3,3-dimethyl-5-phenyl-1H-indol-2-one
CID 79018952
5-(5-amino-6-methylpyrimidin-4-yl)-3,3-dimethyl-1H-indol-2-one
CID 82487599
3,3-dimethyl-5-(6-oxo-4,5-dihydro-1H-pyridazin-3-yl)-1H-indol-2-one;hydrate
CID 71461697
5-[4-(aminomethyl)thiophen-3-yl]-3,3-dimethyl-1H-indol-2-one
CID 96668624
5-[(1R)-1-aminoethyl]-3,3-dimethyl-1H-indol-2-one
CID 82758114
3-(3-methylisoquinolin-7-yl)-1,2-oxazol-5-amine
CID 117323198
5-(1H-benzimidazol-2-yl)-3,3-dimethyl-1H-indol-2-one;ethane
CID 90864973
3-(3-chloro-4-methylsulfonylphenyl)-1,2-oxazol-5-amine
CID 117434460

Frequently Asked Questions

What is the IUPAC name of 5-(5-amino-1,2-oxazol-3-yl)-3,3-dimethyl-1H-indol-2-one?
The IUPAC name of 5-(5-amino-1,2-oxazol-3-yl)-3,3-dimethyl-1H-indol-2-one (CID 82478006) is 5-(5-amino-1,2-oxazol-3-yl)-3,3-dimethyl-1H-indol-2-one.
What is the SMILES notation for 5-(5-amino-1,2-oxazol-3-yl)-3,3-dimethyl-1H-indol-2-one?
The canonical SMILES for 5-(5-amino-1,2-oxazol-3-yl)-3,3-dimethyl-1H-indol-2-one is CC1(C)C(=O)Nc2ccc(-c3cc(N)on3)cc21.
What is the InChIKey of 5-(5-amino-1,2-oxazol-3-yl)-3,3-dimethyl-1H-indol-2-one?
The InChIKey is RGUGLZLAZOZTAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3O2/c1-13(2)8-5-7(10-6-11(14)18-16-10)3-4-9(8)15-12(13)17/h3-6H,14H2,1-2H3,(H,15,17).
What are the key properties of 5-(5-amino-1,2-oxazol-3-yl)-3,3-dimethyl-1H-indol-2-one?
5-(5-amino-1,2-oxazol-3-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-3-yl)-3,3-dimethyl-1H-indol-2-one is sourced from PubChem (CID 82478006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).