6-(3-amino-1,2-oxazol-5-yl)-4-fluoro-1,3-benzodioxol-5-ol

C10H7FN2O4 — CID 137017185

IUPAC6-(3-amino-1,2-oxazol-5-yl)-4-fluoro-1,3-benzodioxol-5-ol
SMILESNc1cc(-c2cc3c(c(F)c2O)OCO3)on1
InChIInChI=1S/C10H7FN2O4/c11-8-9(14)4(5-2-7(12)13-17-5)1-6-10(8)16-3-15-6/h1-2,14H,3H2,(H2,12,13)
InChIKeyCVFHBLJDUBWIHW-UHFFFAOYSA-N
MW238.17 g/mol
LogP1.50
Rot. Bonds1

About 6-(3-amino-1,2-oxazol-5-yl)-4-fluoro-1,3-benzodioxol-5-ol

6-(3-amino-1,2-oxazol-5-yl)-4-fluoro-1,3-benzodioxol-5-ol (PubChem CID 137017185) has the molecular formula C10H7FN2O4 and a molecular weight of 238.17 g/mol. Its IUPAC name is 6-(3-amino-1,2-oxazol-5-yl)-4-fluoro-1,3-benzodioxol-5-ol.

Molecular Properties

Compound Name6-(3-amino-1,2-oxazol-5-yl)-4-fluoro-1,3-benzodioxol-5-ol
PubChem CID137017185
Molecular FormulaC10H7FN2O4
Molecular Weight238.17 g/mol
Exact Mass238.04
IUPAC Name6-(3-amino-1,2-oxazol-5-yl)-4-fluoro-1,3-benzodioxol-5-ol
SMILESNc1cc(-c2cc3c(c(F)c2O)OCO3)on1
InChIInChI=1S/C10H7FN2O4/c11-8-9(14)4(5-2-7(12)13-17-5)1-6-10(8)16-3-15-6/h1-2,14H,3H2,(H2,12,13)
InChIKeyCVFHBLJDUBWIHW-UHFFFAOYSA-N
XLogP1.50
TPSA90.74 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.17
LogP ≤ 51.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-(3-amino-1,2-oxazol-5-yl)-4-fluoro-1,3-benzodioxol-5-ol?
The IUPAC name of 6-(3-amino-1,2-oxazol-5-yl)-4-fluoro-1,3-benzodioxol-5-ol (CID 137017185) is 6-(3-amino-1,2-oxazol-5-yl)-4-fluoro-1,3-benzodioxol-5-ol.
What is the SMILES notation for 6-(3-amino-1,2-oxazol-5-yl)-4-fluoro-1,3-benzodioxol-5-ol?
The canonical SMILES for 6-(3-amino-1,2-oxazol-5-yl)-4-fluoro-1,3-benzodioxol-5-ol is Nc1cc(-c2cc3c(c(F)c2O)OCO3)on1.
What is the InChIKey of 6-(3-amino-1,2-oxazol-5-yl)-4-fluoro-1,3-benzodioxol-5-ol?
The InChIKey is CVFHBLJDUBWIHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7FN2O4/c11-8-9(14)4(5-2-7(12)13-17-5)1-6-10(8)16-3-15-6/h1-2,14H,3H2,(H2,12,13).
What are the key properties of 6-(3-amino-1,2-oxazol-5-yl)-4-fluoro-1,3-benzodioxol-5-ol?
6-(3-amino-1,2-oxazol-5-yl)-4-fluoro-1,3-benzodioxol-5-ol has a molecular weight of 238.17 g/mol, XLogP of 1.50, 1 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-amino-1,2-oxazol-5-yl)-4-fluoro-1,3-benzodioxol-5-ol is sourced from PubChem (CID 137017185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).