2-(7-methoxy-1-benzofuran-2-yl)-5-(trifluoromethyl)-1,3,4-oxadiazole

C12H7F3N2O3 — CID 22729294

IUPAC2-(7-methoxy-1-benzofuran-2-yl)-5-(trifluoromethyl)-1,3,4-oxadiazole
SMILESCOc1cccc2cc(-c3nnc(C(F)(F)F)o3)oc12
InChIInChI=1S/C12H7F3N2O3/c1-18-7-4-2-3-6-5-8(19-9(6)7)10-16-17-11(20-10)12(13,14)15/h2-5H,1H3
InChIKeyPSKNRAYJTRRGNY-UHFFFAOYSA-N
MW284.19 g/mol
LogP3.51
Rot. Bonds2

About 2-(7-methoxy-1-benzofuran-2-yl)-5-(trifluoromethyl)-1,3,4-oxadiazole

2-(7-methoxy-1-benzofuran-2-yl)-5-(trifluoromethyl)-1,3,4-oxadiazole (PubChem CID 22729294) has the molecular formula C12H7F3N2O3 and a molecular weight of 284.19 g/mol. Its IUPAC name is 2-(7-methoxy-1-benzofuran-2-yl)-5-(trifluoromethyl)-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-(7-methoxy-1-benzofuran-2-yl)-5-(trifluoromethyl)-1,3,4-oxadiazole
PubChem CID22729294
Molecular FormulaC12H7F3N2O3
Molecular Weight284.19 g/mol
Exact Mass284.04
IUPAC Name2-(7-methoxy-1-benzofuran-2-yl)-5-(trifluoromethyl)-1,3,4-oxadiazole
SMILESCOc1cccc2cc(-c3nnc(C(F)(F)F)o3)oc12
InChIInChI=1S/C12H7F3N2O3/c1-18-7-4-2-3-6-5-8(19-9(6)7)10-16-17-11(20-10)12(13,14)15/h2-5H,1H3
InChIKeyPSKNRAYJTRRGNY-UHFFFAOYSA-N
XLogP3.51
TPSA61.29 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.19
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(7-methoxy-1-benzofuran-2-yl)-5-(trifluoromethyl)-1,3,4-oxadiazole?
The IUPAC name of 2-(7-methoxy-1-benzofuran-2-yl)-5-(trifluoromethyl)-1,3,4-oxadiazole (CID 22729294) is 2-(7-methoxy-1-benzofuran-2-yl)-5-(trifluoromethyl)-1,3,4-oxadiazole.
What is the SMILES notation for 2-(7-methoxy-1-benzofuran-2-yl)-5-(trifluoromethyl)-1,3,4-oxadiazole?
The canonical SMILES for 2-(7-methoxy-1-benzofuran-2-yl)-5-(trifluoromethyl)-1,3,4-oxadiazole is COc1cccc2cc(-c3nnc(C(F)(F)F)o3)oc12.
What is the InChIKey of 2-(7-methoxy-1-benzofuran-2-yl)-5-(trifluoromethyl)-1,3,4-oxadiazole?
The InChIKey is PSKNRAYJTRRGNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7F3N2O3/c1-18-7-4-2-3-6-5-8(19-9(6)7)10-16-17-11(20-10)12(13,14)15/h2-5H,1H3.
What are the key properties of 2-(7-methoxy-1-benzofuran-2-yl)-5-(trifluoromethyl)-1,3,4-oxadiazole?
2-(7-methoxy-1-benzofuran-2-yl)-5-(trifluoromethyl)-1,3,4-oxadiazole has a molecular weight of 284.19 g/mol, XLogP of 3.51, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7-methoxy-1-benzofuran-2-yl)-5-(trifluoromethyl)-1,3,4-oxadiazole is sourced from PubChem (CID 22729294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).