2-fluoro-N-[3-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]phenyl]benzamide

C19H12FN3O3 — CID 815835

IUPAC2-fluoro-N-[3-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]phenyl]benzamide
SMILESO=C(Nc1cccc(-c2nnc(-c3ccco3)o2)c1)c1ccccc1F
InChIInChI=1S/C19H12FN3O3/c20-15-8-2-1-7-14(15)17(24)21-13-6-3-5-12(11-13)18-22-23-19(26-18)16-9-4-10-25-16/h1-11H,(H,21,24)
InChIKeyNBQHOSAFLRRYCX-UHFFFAOYSA-N
MW349.32 g/mol
LogP4.39
Rot. Bonds4

About 2-fluoro-N-[3-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]phenyl]benzamide

2-fluoro-N-[3-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]phenyl]benzamide (PubChem CID 815835) has the molecular formula C19H12FN3O3 and a molecular weight of 349.32 g/mol. Its IUPAC name is 2-fluoro-N-[3-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]phenyl]benzamide.

Molecular Properties

Compound Name2-fluoro-N-[3-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]phenyl]benzamide
PubChem CID815835
Molecular FormulaC19H12FN3O3
Molecular Weight349.32 g/mol
Exact Mass349.09
IUPAC Name2-fluoro-N-[3-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]phenyl]benzamide
SMILESO=C(Nc1cccc(-c2nnc(-c3ccco3)o2)c1)c1ccccc1F
InChIInChI=1S/C19H12FN3O3/c20-15-8-2-1-7-14(15)17(24)21-13-6-3-5-12(11-13)18-22-23-19(26-18)16-9-4-10-25-16/h1-11H,(H,21,24)
InChIKeyNBQHOSAFLRRYCX-UHFFFAOYSA-N
XLogP4.39
TPSA81.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.32
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-[3-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]phenyl]benzamide?
The IUPAC name of 2-fluoro-N-[3-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]phenyl]benzamide (CID 815835) is 2-fluoro-N-[3-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]phenyl]benzamide.
What is the SMILES notation for 2-fluoro-N-[3-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]phenyl]benzamide?
The canonical SMILES for 2-fluoro-N-[3-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]phenyl]benzamide is O=C(Nc1cccc(-c2nnc(-c3ccco3)o2)c1)c1ccccc1F.
What is the InChIKey of 2-fluoro-N-[3-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]phenyl]benzamide?
The InChIKey is NBQHOSAFLRRYCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12FN3O3/c20-15-8-2-1-7-14(15)17(24)21-13-6-3-5-12(11-13)18-22-23-19(26-18)16-9-4-10-25-16/h1-11H,(H,21,24).
What are the key properties of 2-fluoro-N-[3-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]phenyl]benzamide?
2-fluoro-N-[3-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]phenyl]benzamide has a molecular weight of 349.32 g/mol, XLogP of 4.39, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-[3-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]phenyl]benzamide is sourced from PubChem (CID 815835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).