5-fluoro-N-(1,3,4-oxadiazol-2-yl)-6-(trifluoromethoxy)-1,3-benzoxazol-2-amine

C10H4F4N4O3 — CID 134284097

IUPAC5-fluoro-N-(1,3,4-oxadiazol-2-yl)-6-(trifluoromethoxy)-1,3-benzoxazol-2-amine
SMILESFc1cc2nc(Nc3nnco3)oc2cc1OC(F)(F)F
InChIInChI=1S/C10H4F4N4O3/c11-4-1-5-7(2-6(4)21-10(12,13)14)20-8(16-5)17-9-18-15-3-19-9/h1-3H,(H,16,17,18)
InChIKeyNZSZXMBTYGMBEV-UHFFFAOYSA-N
MW304.16 g/mol
LogP2.99
Rot. Bonds3

About 5-fluoro-N-(1,3,4-oxadiazol-2-yl)-6-(trifluoromethoxy)-1,3-benzoxazol-2-amine

5-fluoro-N-(1,3,4-oxadiazol-2-yl)-6-(trifluoromethoxy)-1,3-benzoxazol-2-amine (PubChem CID 134284097) has the molecular formula C10H4F4N4O3 and a molecular weight of 304.16 g/mol. Its IUPAC name is 5-fluoro-N-(1,3,4-oxadiazol-2-yl)-6-(trifluoromethoxy)-1,3-benzoxazol-2-amine.

Molecular Properties

Compound Name5-fluoro-N-(1,3,4-oxadiazol-2-yl)-6-(trifluoromethoxy)-1,3-benzoxazol-2-amine
PubChem CID134284097
Molecular FormulaC10H4F4N4O3
Molecular Weight304.16 g/mol
Exact Mass304.02
IUPAC Name5-fluoro-N-(1,3,4-oxadiazol-2-yl)-6-(trifluoromethoxy)-1,3-benzoxazol-2-amine
SMILESFc1cc2nc(Nc3nnco3)oc2cc1OC(F)(F)F
InChIInChI=1S/C10H4F4N4O3/c11-4-1-5-7(2-6(4)21-10(12,13)14)20-8(16-5)17-9-18-15-3-19-9/h1-3H,(H,16,17,18)
InChIKeyNZSZXMBTYGMBEV-UHFFFAOYSA-N
XLogP2.99
TPSA86.21 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.16
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-N-(1,3,4-oxadiazol-2-yl)-6-(trifluoromethoxy)-1,3-benzoxazol-2-amine?
The IUPAC name of 5-fluoro-N-(1,3,4-oxadiazol-2-yl)-6-(trifluoromethoxy)-1,3-benzoxazol-2-amine (CID 134284097) is 5-fluoro-N-(1,3,4-oxadiazol-2-yl)-6-(trifluoromethoxy)-1,3-benzoxazol-2-amine.
What is the SMILES notation for 5-fluoro-N-(1,3,4-oxadiazol-2-yl)-6-(trifluoromethoxy)-1,3-benzoxazol-2-amine?
The canonical SMILES for 5-fluoro-N-(1,3,4-oxadiazol-2-yl)-6-(trifluoromethoxy)-1,3-benzoxazol-2-amine is Fc1cc2nc(Nc3nnco3)oc2cc1OC(F)(F)F.
What is the InChIKey of 5-fluoro-N-(1,3,4-oxadiazol-2-yl)-6-(trifluoromethoxy)-1,3-benzoxazol-2-amine?
The InChIKey is NZSZXMBTYGMBEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H4F4N4O3/c11-4-1-5-7(2-6(4)21-10(12,13)14)20-8(16-5)17-9-18-15-3-19-9/h1-3H,(H,16,17,18).
What are the key properties of 5-fluoro-N-(1,3,4-oxadiazol-2-yl)-6-(trifluoromethoxy)-1,3-benzoxazol-2-amine?
5-fluoro-N-(1,3,4-oxadiazol-2-yl)-6-(trifluoromethoxy)-1,3-benzoxazol-2-amine has a molecular weight of 304.16 g/mol, XLogP of 2.99, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-N-(1,3,4-oxadiazol-2-yl)-6-(trifluoromethoxy)-1,3-benzoxazol-2-amine is sourced from PubChem (CID 134284097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).