7-(5-amino-1,2-oxazol-3-yl)-5-fluoro-1,3-dihydroindol-2-one

C11H8FN3O2 — CID 117337397

IUPAC7-(5-amino-1,2-oxazol-3-yl)-5-fluoro-1,3-dihydroindol-2-one
SMILESNc1cc(-c2cc(F)cc3c2NC(=O)C3)no1
InChIInChI=1S/C11H8FN3O2/c12-6-1-5-2-10(16)14-11(5)7(3-6)8-4-9(13)17-15-8/h1,3-4H,2,13H2,(H,14,16)
InChIKeyIBZYQOSPTPYRKD-UHFFFAOYSA-N
MW233.20 g/mol
LogP1.56
Rot. Bonds1

About 7-(5-amino-1,2-oxazol-3-yl)-5-fluoro-1,3-dihydroindol-2-one

7-(5-amino-1,2-oxazol-3-yl)-5-fluoro-1,3-dihydroindol-2-one (PubChem CID 117337397) has the molecular formula C11H8FN3O2 and a molecular weight of 233.20 g/mol. Its IUPAC name is 7-(5-amino-1,2-oxazol-3-yl)-5-fluoro-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name7-(5-amino-1,2-oxazol-3-yl)-5-fluoro-1,3-dihydroindol-2-one
PubChem CID117337397
Molecular FormulaC11H8FN3O2
Molecular Weight233.20 g/mol
Exact Mass233.06
IUPAC Name7-(5-amino-1,2-oxazol-3-yl)-5-fluoro-1,3-dihydroindol-2-one
SMILESNc1cc(-c2cc(F)cc3c2NC(=O)C3)no1
InChIInChI=1S/C11H8FN3O2/c12-6-1-5-2-10(16)14-11(5)7(3-6)8-4-9(13)17-15-8/h1,3-4H,2,13H2,(H,14,16)
InChIKeyIBZYQOSPTPYRKD-UHFFFAOYSA-N
XLogP1.56
TPSA81.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.20
LogP ≤ 51.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(5-fluoro-2-oxo-1,3-dihydroindol-7-yl)-1H-pyrazole-5-carboxylic acid
CID 117406571
7-(aminomethyl)-5-fluoro-1,3-dihydroindol-2-one
CID 82190628
3-(6-fluoro-2,3-dihydro-1H-inden-5-yl)-1,2-oxazol-5-amine
CID 117310740
8-amino-6-fluoro-4H-isoquinoline-1,3-dione
CID 164939912
5-(3-amino-1H-pyrazol-5-yl)-7-fluoro-1,3-dihydroindol-2-one
CID 117335864
5-amino-7-(fluoromethyl)-1,3-dihydroindol-2-one
CID 69465620
3-(3-bromo-5-fluorophenyl)-1,2-oxazol-5-amine
CID 43248459
7-[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]-5-chloro-1,3-dihydroindol-2-one
CID 117416069
5-fluoro-7-(piperazin-1-ylmethyl)-1,3-dihydroindol-2-one
CID 117376008
1-(5-fluoro-2-oxo-1,3-dihydroindol-7-yl)cyclobutane-1-carboxylic acid
CID 117375432
5-amino-6-ethyl-7-fluoro-1,3-dihydroindol-2-one
CID 69465743
3-(2-fluoro-3,5-dimethylphenyl)-1,2-oxazol-5-amine
CID 117294555

Frequently Asked Questions

What is the IUPAC name of 7-(5-amino-1,2-oxazol-3-yl)-5-fluoro-1,3-dihydroindol-2-one?
The IUPAC name of 7-(5-amino-1,2-oxazol-3-yl)-5-fluoro-1,3-dihydroindol-2-one (CID 117337397) is 7-(5-amino-1,2-oxazol-3-yl)-5-fluoro-1,3-dihydroindol-2-one.
What is the SMILES notation for 7-(5-amino-1,2-oxazol-3-yl)-5-fluoro-1,3-dihydroindol-2-one?
The canonical SMILES for 7-(5-amino-1,2-oxazol-3-yl)-5-fluoro-1,3-dihydroindol-2-one is Nc1cc(-c2cc(F)cc3c2NC(=O)C3)no1.
What is the InChIKey of 7-(5-amino-1,2-oxazol-3-yl)-5-fluoro-1,3-dihydroindol-2-one?
The InChIKey is IBZYQOSPTPYRKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8FN3O2/c12-6-1-5-2-10(16)14-11(5)7(3-6)8-4-9(13)17-15-8/h1,3-4H,2,13H2,(H,14,16).
What are the key properties of 7-(5-amino-1,2-oxazol-3-yl)-5-fluoro-1,3-dihydroindol-2-one?
7-(5-amino-1,2-oxazol-3-yl)-5-fluoro-1,3-dihydroindol-2-one has a molecular weight of 233.20 g/mol, XLogP of 1.56, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(5-amino-1,2-oxazol-3-yl)-5-fluoro-1,3-dihydroindol-2-one is sourced from PubChem (CID 117337397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).