5-(2-amino-1,3-benzoxazol-5-yl)-7-fluoro-1,3-benzoxazol-2-amine

C14H9FN4O2 — CID 50991337

IUPAC5-(2-amino-1,3-benzoxazol-5-yl)-7-fluoro-1,3-benzoxazol-2-amine
SMILESNc1nc2cc(-c3cc(F)c4oc(N)nc4c3)ccc2o1
InChIInChI=1S/C14H9FN4O2/c15-8-3-7(5-10-12(8)21-14(17)19-10)6-1-2-11-9(4-6)18-13(16)20-11/h1-5H,(H2,16,18)(H2,17,19)
InChIKeyNNPAZJJXFYKULG-UHFFFAOYSA-N
MW284.25 g/mol
LogP2.94
Rot. Bonds1

About 5-(2-amino-1,3-benzoxazol-5-yl)-7-fluoro-1,3-benzoxazol-2-amine

5-(2-amino-1,3-benzoxazol-5-yl)-7-fluoro-1,3-benzoxazol-2-amine (PubChem CID 50991337) has the molecular formula C14H9FN4O2 and a molecular weight of 284.25 g/mol. Its IUPAC name is 5-(2-amino-1,3-benzoxazol-5-yl)-7-fluoro-1,3-benzoxazol-2-amine.

Molecular Properties

Compound Name5-(2-amino-1,3-benzoxazol-5-yl)-7-fluoro-1,3-benzoxazol-2-amine
PubChem CID50991337
Molecular FormulaC14H9FN4O2
Molecular Weight284.25 g/mol
Exact Mass284.07
IUPAC Name5-(2-amino-1,3-benzoxazol-5-yl)-7-fluoro-1,3-benzoxazol-2-amine
SMILESNc1nc2cc(-c3cc(F)c4oc(N)nc4c3)ccc2o1
InChIInChI=1S/C14H9FN4O2/c15-8-3-7(5-10-12(8)21-14(17)19-10)6-1-2-11-9(4-6)18-13(16)20-11/h1-5H,(H2,16,18)(H2,17,19)
InChIKeyNNPAZJJXFYKULG-UHFFFAOYSA-N
XLogP2.94
TPSA104.10 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.25
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-(2-amino-1,3-benzoxazol-5-yl)-7-fluoro-1,3-benzoxazol-2-amine?
The IUPAC name of 5-(2-amino-1,3-benzoxazol-5-yl)-7-fluoro-1,3-benzoxazol-2-amine (CID 50991337) is 5-(2-amino-1,3-benzoxazol-5-yl)-7-fluoro-1,3-benzoxazol-2-amine.
What is the SMILES notation for 5-(2-amino-1,3-benzoxazol-5-yl)-7-fluoro-1,3-benzoxazol-2-amine?
The canonical SMILES for 5-(2-amino-1,3-benzoxazol-5-yl)-7-fluoro-1,3-benzoxazol-2-amine is Nc1nc2cc(-c3cc(F)c4oc(N)nc4c3)ccc2o1.
What is the InChIKey of 5-(2-amino-1,3-benzoxazol-5-yl)-7-fluoro-1,3-benzoxazol-2-amine?
The InChIKey is NNPAZJJXFYKULG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9FN4O2/c15-8-3-7(5-10-12(8)21-14(17)19-10)6-1-2-11-9(4-6)18-13(16)20-11/h1-5H,(H2,16,18)(H2,17,19).
What are the key properties of 5-(2-amino-1,3-benzoxazol-5-yl)-7-fluoro-1,3-benzoxazol-2-amine?
5-(2-amino-1,3-benzoxazol-5-yl)-7-fluoro-1,3-benzoxazol-2-amine has a molecular weight of 284.25 g/mol, XLogP of 2.94, 1 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-amino-1,3-benzoxazol-5-yl)-7-fluoro-1,3-benzoxazol-2-amine is sourced from PubChem (CID 50991337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).