5-(6-fluoro-4H-1,3-benzodioxin-7-yl)-1,2-oxazol-3-amine

C11H9FN2O3 — CID 117344211

IUPAC5-(6-fluoro-4H-1,3-benzodioxin-7-yl)-1,2-oxazol-3-amine
SMILESNc1cc(-c2cc3c(cc2F)COCO3)on1
InChIInChI=1S/C11H9FN2O3/c12-8-1-6-4-15-5-16-9(6)2-7(8)10-3-11(13)14-17-10/h1-3H,4-5H2,(H2,13,14)
InChIKeyFXEAGTVZXXYEFO-UHFFFAOYSA-N
MW236.20 g/mol
LogP1.93
Rot. Bonds1

About 5-(6-fluoro-4H-1,3-benzodioxin-7-yl)-1,2-oxazol-3-amine

5-(6-fluoro-4H-1,3-benzodioxin-7-yl)-1,2-oxazol-3-amine (PubChem CID 117344211) has the molecular formula C11H9FN2O3 and a molecular weight of 236.20 g/mol. Its IUPAC name is 5-(6-fluoro-4H-1,3-benzodioxin-7-yl)-1,2-oxazol-3-amine.

Molecular Properties

Compound Name5-(6-fluoro-4H-1,3-benzodioxin-7-yl)-1,2-oxazol-3-amine
PubChem CID117344211
Molecular FormulaC11H9FN2O3
Molecular Weight236.20 g/mol
Exact Mass236.06
IUPAC Name5-(6-fluoro-4H-1,3-benzodioxin-7-yl)-1,2-oxazol-3-amine
SMILESNc1cc(-c2cc3c(cc2F)COCO3)on1
InChIInChI=1S/C11H9FN2O3/c12-8-1-6-4-15-5-16-9(6)2-7(8)10-3-11(13)14-17-10/h1-3H,4-5H2,(H2,13,14)
InChIKeyFXEAGTVZXXYEFO-UHFFFAOYSA-N
XLogP1.93
TPSA70.51 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.20
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-(6-fluoro-1,3-benzodioxol-5-yl)-1,2-oxazol-3-amine
CID 117317439
4-(6-fluoro-4H-1,3-benzodioxin-7-yl)-1,2-oxazol-5-amine
CID 117344235
5-(6-bromo-1,3-benzodioxol-5-yl)-1,2-oxazol-3-amine
CID 117454781
6-(3-amino-1,2-oxazol-5-yl)-1,3-benzodioxol-5-ol
CID 136993765
5-(6-ethyl-1,3-benzodioxol-5-yl)-1,2-oxazol-3-amine
CID 117335995
5-(7-fluoro-6-methoxy-1,3-benzodioxol-5-yl)-1,2-oxazol-3-amine
CID 117383164
2-(6-fluoro-4H-1,3-benzodioxin-7-yl)propan-2-amine
CID 117301446
6-(3-amino-1,2-oxazol-5-yl)-1,3-dihydro-2-benzofuran-5-ol
CID 137013109
5-(6-chloro-1,3-benzodioxol-4-yl)-1,2-oxazol-3-amine
CID 117349709
5-(2,3,4-trifluorophenyl)-1,2-oxazol-3-amine
CID 79754981
5-(4-bromo-1,3-benzodioxol-5-yl)-1,2-oxazol-3-amine
CID 117454777
5-(2-fluoro-5-methoxyphenyl)-1,2-oxazol-3-amine
CID 117297135

Frequently Asked Questions

What is the IUPAC name of 5-(6-fluoro-4H-1,3-benzodioxin-7-yl)-1,2-oxazol-3-amine?
The IUPAC name of 5-(6-fluoro-4H-1,3-benzodioxin-7-yl)-1,2-oxazol-3-amine (CID 117344211) is 5-(6-fluoro-4H-1,3-benzodioxin-7-yl)-1,2-oxazol-3-amine.
What is the SMILES notation for 5-(6-fluoro-4H-1,3-benzodioxin-7-yl)-1,2-oxazol-3-amine?
The canonical SMILES for 5-(6-fluoro-4H-1,3-benzodioxin-7-yl)-1,2-oxazol-3-amine is Nc1cc(-c2cc3c(cc2F)COCO3)on1.
What is the InChIKey of 5-(6-fluoro-4H-1,3-benzodioxin-7-yl)-1,2-oxazol-3-amine?
The InChIKey is FXEAGTVZXXYEFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9FN2O3/c12-8-1-6-4-15-5-16-9(6)2-7(8)10-3-11(13)14-17-10/h1-3H,4-5H2,(H2,13,14).
What are the key properties of 5-(6-fluoro-4H-1,3-benzodioxin-7-yl)-1,2-oxazol-3-amine?
5-(6-fluoro-4H-1,3-benzodioxin-7-yl)-1,2-oxazol-3-amine has a molecular weight of 236.20 g/mol, XLogP of 1.93, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(6-fluoro-4H-1,3-benzodioxin-7-yl)-1,2-oxazol-3-amine is sourced from PubChem (CID 117344211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).