N-[5-(2,3-dihydro-1,4-benzodioxin-3-yl)-1,3,4-oxadiazol-2-yl]-4-fluorobenzamide

C17H12FN3O4 — CID 4124689

IUPACN-[5-(2,3-dihydro-1,4-benzodioxin-3-yl)-1,3,4-oxadiazol-2-yl]-4-fluorobenzamide
SMILESO=C(Nc1nnc(C2COc3ccccc3O2)o1)c1ccc(F)cc1
InChIInChI=1S/C17H12FN3O4/c18-11-7-5-10(6-8-11)15(22)19-17-21-20-16(25-17)14-9-23-12-3-1-2-4-13(12)24-14/h1-8,14H,9H2,(H,19,21,22)
InChIKeyUCXQBQPSKTUKRS-UHFFFAOYSA-N
MW341.30 g/mol
LogP2.97
Rot. Bonds3

About N-[5-(2,3-dihydro-1,4-benzodioxin-3-yl)-1,3,4-oxadiazol-2-yl]-4-fluorobenzamide

N-[5-(2,3-dihydro-1,4-benzodioxin-3-yl)-1,3,4-oxadiazol-2-yl]-4-fluorobenzamide (PubChem CID 4124689) has the molecular formula C17H12FN3O4 and a molecular weight of 341.30 g/mol. Its IUPAC name is N-[5-(2,3-dihydro-1,4-benzodioxin-3-yl)-1,3,4-oxadiazol-2-yl]-4-fluorobenzamide.

Molecular Properties

Compound NameN-[5-(2,3-dihydro-1,4-benzodioxin-3-yl)-1,3,4-oxadiazol-2-yl]-4-fluorobenzamide
PubChem CID4124689
Molecular FormulaC17H12FN3O4
Molecular Weight341.30 g/mol
Exact Mass341.08
IUPAC NameN-[5-(2,3-dihydro-1,4-benzodioxin-3-yl)-1,3,4-oxadiazol-2-yl]-4-fluorobenzamide
SMILESO=C(Nc1nnc(C2COc3ccccc3O2)o1)c1ccc(F)cc1
InChIInChI=1S/C17H12FN3O4/c18-11-7-5-10(6-8-11)15(22)19-17-21-20-16(25-17)14-9-23-12-3-1-2-4-13(12)24-14/h1-8,14H,9H2,(H,19,21,22)
InChIKeyUCXQBQPSKTUKRS-UHFFFAOYSA-N
XLogP2.97
TPSA86.48 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.30
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[5-(2,3-dihydro-1,4-benzodioxin-3-yl)-1,3,4-oxadiazol-2-yl]-4-fluorobenzamide?
The IUPAC name of N-[5-(2,3-dihydro-1,4-benzodioxin-3-yl)-1,3,4-oxadiazol-2-yl]-4-fluorobenzamide (CID 4124689) is N-[5-(2,3-dihydro-1,4-benzodioxin-3-yl)-1,3,4-oxadiazol-2-yl]-4-fluorobenzamide.
What is the SMILES notation for N-[5-(2,3-dihydro-1,4-benzodioxin-3-yl)-1,3,4-oxadiazol-2-yl]-4-fluorobenzamide?
The canonical SMILES for N-[5-(2,3-dihydro-1,4-benzodioxin-3-yl)-1,3,4-oxadiazol-2-yl]-4-fluorobenzamide is O=C(Nc1nnc(C2COc3ccccc3O2)o1)c1ccc(F)cc1.
What is the InChIKey of N-[5-(2,3-dihydro-1,4-benzodioxin-3-yl)-1,3,4-oxadiazol-2-yl]-4-fluorobenzamide?
The InChIKey is UCXQBQPSKTUKRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12FN3O4/c18-11-7-5-10(6-8-11)15(22)19-17-21-20-16(25-17)14-9-23-12-3-1-2-4-13(12)24-14/h1-8,14H,9H2,(H,19,21,22).
What are the key properties of N-[5-(2,3-dihydro-1,4-benzodioxin-3-yl)-1,3,4-oxadiazol-2-yl]-4-fluorobenzamide?
N-[5-(2,3-dihydro-1,4-benzodioxin-3-yl)-1,3,4-oxadiazol-2-yl]-4-fluorobenzamide has a molecular weight of 341.30 g/mol, XLogP of 2.97, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(2,3-dihydro-1,4-benzodioxin-3-yl)-1,3,4-oxadiazol-2-yl]-4-fluorobenzamide is sourced from PubChem (CID 4124689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).