5-(6-fluoro-1,3-benzodioxol-5-yl)-1,2-oxazol-3-amine

C10H7FN2O3 — CID 117317439

IUPAC5-(6-fluoro-1,3-benzodioxol-5-yl)-1,2-oxazol-3-amine
SMILESNc1cc(-c2cc3c(cc2F)OCO3)on1
InChIInChI=1S/C10H7FN2O3/c11-6-2-9-8(14-4-15-9)1-5(6)7-3-10(12)13-16-7/h1-3H,4H2,(H2,12,13)
InChIKeyOGXCIZBVPOAOSL-UHFFFAOYSA-N
MW222.18 g/mol
LogP1.79
Rot. Bonds1

About 5-(6-fluoro-1,3-benzodioxol-5-yl)-1,2-oxazol-3-amine

5-(6-fluoro-1,3-benzodioxol-5-yl)-1,2-oxazol-3-amine (PubChem CID 117317439) has the molecular formula C10H7FN2O3 and a molecular weight of 222.18 g/mol. Its IUPAC name is 5-(6-fluoro-1,3-benzodioxol-5-yl)-1,2-oxazol-3-amine.

Molecular Properties

Compound Name5-(6-fluoro-1,3-benzodioxol-5-yl)-1,2-oxazol-3-amine
PubChem CID117317439
Molecular FormulaC10H7FN2O3
Molecular Weight222.18 g/mol
Exact Mass222.04
IUPAC Name5-(6-fluoro-1,3-benzodioxol-5-yl)-1,2-oxazol-3-amine
SMILESNc1cc(-c2cc3c(cc2F)OCO3)on1
InChIInChI=1S/C10H7FN2O3/c11-6-2-9-8(14-4-15-9)1-5(6)7-3-10(12)13-16-7/h1-3H,4H2,(H2,12,13)
InChIKeyOGXCIZBVPOAOSL-UHFFFAOYSA-N
XLogP1.79
TPSA70.51 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.18
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-(6-fluoro-4H-1,3-benzodioxin-7-yl)-1,2-oxazol-3-amine
CID 117344211
6-(3-amino-1,2-oxazol-5-yl)-1,3-benzodioxol-5-ol
CID 136993765
5-(6-bromo-1,3-benzodioxol-5-yl)-1,2-oxazol-3-amine
CID 117454781
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
5-(6-chloro-1,3-benzodioxol-4-yl)-1,2-oxazol-3-amine
CID 117349709
5-(4-bromo-1,3-benzodioxol-5-yl)-1,2-oxazol-3-amine
CID 117454777
5-(7-chloro-6-methoxy-1,3-benzodioxol-5-yl)-1,2-oxazol-3-amine
CID 117425013
5-(2,3,4-trifluorophenyl)-1,2-oxazol-3-amine
CID 79754981
5-(6-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)-1,2-oxazol-3-amine
CID 117373049
5-[7-(1-fluoroethyl)-3,4-dihydro-2H-1,5-benzodioxepin-8-yl]-1,2-oxazol-3-amine
CID 117445855
3-methyl-5-(6-methyl-1,3-benzodioxol-5-yl)-1,2-oxazole
CID 116869000

Frequently Asked Questions

What is the IUPAC name of 5-(6-fluoro-1,3-benzodioxol-5-yl)-1,2-oxazol-3-amine?
The IUPAC name of 5-(6-fluoro-1,3-benzodioxol-5-yl)-1,2-oxazol-3-amine (CID 117317439) is 5-(6-fluoro-1,3-benzodioxol-5-yl)-1,2-oxazol-3-amine.
What is the SMILES notation for 5-(6-fluoro-1,3-benzodioxol-5-yl)-1,2-oxazol-3-amine?
The canonical SMILES for 5-(6-fluoro-1,3-benzodioxol-5-yl)-1,2-oxazol-3-amine is Nc1cc(-c2cc3c(cc2F)OCO3)on1.
What is the InChIKey of 5-(6-fluoro-1,3-benzodioxol-5-yl)-1,2-oxazol-3-amine?
The InChIKey is OGXCIZBVPOAOSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7FN2O3/c11-6-2-9-8(14-4-15-9)1-5(6)7-3-10(12)13-16-7/h1-3H,4H2,(H2,12,13).
What are the key properties of 5-(6-fluoro-1,3-benzodioxol-5-yl)-1,2-oxazol-3-amine?
5-(6-fluoro-1,3-benzodioxol-5-yl)-1,2-oxazol-3-amine has a molecular weight of 222.18 g/mol, XLogP of 1.79, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(6-fluoro-1,3-benzodioxol-5-yl)-1,2-oxazol-3-amine is sourced from PubChem (CID 117317439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).