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

C11H9FN2O3 — CID 117344219

IUPAC3-(6-fluoro-4H-1,3-benzodioxin-5-yl)-1,2-oxazol-5-amine
SMILESNc1cc(-c2c(F)ccc3c2COCO3)no1
InChIInChI=1S/C11H9FN2O3/c12-7-1-2-9-6(4-15-5-16-9)11(7)8-3-10(13)17-14-8/h1-3H,4-5,13H2
InChIKeyOJAQKFBPBZHRTJ-UHFFFAOYSA-N
MW236.20 g/mol
LogP1.93
Rot. Bonds1

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

3-(6-fluoro-4H-1,3-benzodioxin-5-yl)-1,2-oxazol-5-amine (PubChem CID 117344219) has the molecular formula C11H9FN2O3 and a molecular weight of 236.20 g/mol. Its IUPAC name is 3-(6-fluoro-4H-1,3-benzodioxin-5-yl)-1,2-oxazol-5-amine.

Molecular Properties

Compound Name3-(6-fluoro-4H-1,3-benzodioxin-5-yl)-1,2-oxazol-5-amine
PubChem CID117344219
Molecular FormulaC11H9FN2O3
Molecular Weight236.20 g/mol
Exact Mass236.06
IUPAC Name3-(6-fluoro-4H-1,3-benzodioxin-5-yl)-1,2-oxazol-5-amine
SMILESNc1cc(-c2c(F)ccc3c2COCO3)no1
InChIInChI=1S/C11H9FN2O3/c12-7-1-2-9-6(4-15-5-16-9)11(7)8-3-10(13)17-14-8/h1-3H,4-5,13H2
InChIKeyOJAQKFBPBZHRTJ-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

3-(3-ethyl-2,6-difluorophenyl)-1,2-oxazol-5-amine
CID 117321351
3-(3-bromo-2,6-difluorophenyl)-1,2-oxazol-5-amine
CID 117439369
3-(6-fluoro-1-benzofuran-7-yl)-1,2-oxazol-5-amine
CID 117310537
3-(2,3,4,5,6-pentafluorophenyl)-1,2-oxazol-5-amine
CID 43608008
5-(6-chloro-4H-1,3-benzodioxin-5-yl)-1,2-oxazole-3-carboxylic acid
CID 117452053
3-(3-chloro-6-fluoro-2-methoxyphenyl)-1,2-oxazol-5-amine
CID 117358433
5-(5-amino-1,2-oxazol-3-yl)-7-fluoro-2,3-dihydro-1,4-benzodioxin-6-ol
CID 136942211
3-(6-fluoro-4H-1,3-benzodioxin-5-yl)propan-1-ol
CID 117302756
2-(6-fluoro-4H-1,3-benzodioxin-5-yl)piperidine
CID 84700030
1-(6-fluoro-4H-1,3-benzodioxin-5-yl)-N-methylmethanamine
CID 84667457
3-(7-fluoro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-1,2-oxazol-5-amine
CID 117378355
3-(7-chloro-6-fluoro-2,3-dihydro-1,4-benzodioxin-5-yl)-1,2-oxazol-5-amine
CID 117429491

Frequently Asked Questions

What is the IUPAC name of 3-(6-fluoro-4H-1,3-benzodioxin-5-yl)-1,2-oxazol-5-amine?
The IUPAC name of 3-(6-fluoro-4H-1,3-benzodioxin-5-yl)-1,2-oxazol-5-amine (CID 117344219) is 3-(6-fluoro-4H-1,3-benzodioxin-5-yl)-1,2-oxazol-5-amine.
What is the SMILES notation for 3-(6-fluoro-4H-1,3-benzodioxin-5-yl)-1,2-oxazol-5-amine?
The canonical SMILES for 3-(6-fluoro-4H-1,3-benzodioxin-5-yl)-1,2-oxazol-5-amine is Nc1cc(-c2c(F)ccc3c2COCO3)no1.
What is the InChIKey of 3-(6-fluoro-4H-1,3-benzodioxin-5-yl)-1,2-oxazol-5-amine?
The InChIKey is OJAQKFBPBZHRTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9FN2O3/c12-7-1-2-9-6(4-15-5-16-9)11(7)8-3-10(13)17-14-8/h1-3H,4-5,13H2.
What are the key properties of 3-(6-fluoro-4H-1,3-benzodioxin-5-yl)-1,2-oxazol-5-amine?
3-(6-fluoro-4H-1,3-benzodioxin-5-yl)-1,2-oxazol-5-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 3-(6-fluoro-4H-1,3-benzodioxin-5-yl)-1,2-oxazol-5-amine is sourced from PubChem (CID 117344219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).