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

C20H12N4O3 — CID 177345157

IUPAC3-cyano-N-[5-[3-(furan-2-yl)phenyl]-1,3,4-oxadiazol-2-yl]benzamide
SMILESN#Cc1cccc(C(=O)Nc2nnc(-c3cccc(-c4ccco4)c3)o2)c1
InChIInChI=1S/C20H12N4O3/c21-12-13-4-1-6-15(10-13)18(25)22-20-24-23-19(27-20)16-7-2-5-14(11-16)17-8-3-9-26-17/h1-11H,(H,22,24,25)
InChIKeyVNNGKLQHTUWFPS-UHFFFAOYSA-N
MW356.34 g/mol
LogP4.12
Rot. Bonds4

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

3-cyano-N-[5-[3-(furan-2-yl)phenyl]-1,3,4-oxadiazol-2-yl]benzamide (PubChem CID 177345157) has the molecular formula C20H12N4O3 and a molecular weight of 356.34 g/mol. Its IUPAC name is 3-cyano-N-[5-[3-(furan-2-yl)phenyl]-1,3,4-oxadiazol-2-yl]benzamide.

Molecular Properties

Compound Name3-cyano-N-[5-[3-(furan-2-yl)phenyl]-1,3,4-oxadiazol-2-yl]benzamide
PubChem CID177345157
Molecular FormulaC20H12N4O3
Molecular Weight356.34 g/mol
Exact Mass356.09
IUPAC Name3-cyano-N-[5-[3-(furan-2-yl)phenyl]-1,3,4-oxadiazol-2-yl]benzamide
SMILESN#Cc1cccc(C(=O)Nc2nnc(-c3cccc(-c4ccco4)c3)o2)c1
InChIInChI=1S/C20H12N4O3/c21-12-13-4-1-6-15(10-13)18(25)22-20-24-23-19(27-20)16-7-2-5-14(11-16)17-8-3-9-26-17/h1-11H,(H,22,24,25)
InChIKeyVNNGKLQHTUWFPS-UHFFFAOYSA-N
XLogP4.12
TPSA104.95 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.34
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]-3-methylsulfanylbenzamide
CID 7266914
N-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]-3-(4-trimethylsilylphenyl)benzamide
CID 70941246
N-[5-(3-bromophenyl)-1,3,4-oxadiazol-2-yl]-4-cyanobenzamide
CID 43976145
3-(4-ethenylphenyl)-N-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]benzamide
CID 89120372
3-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]benzamide
CID 70941439
3-(furan-2-yl)benzonitrile
CID 4163731
3-(3-fluoro-4-phenylphenyl)-N-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]benzamide
CID 70941308
N-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]-3-(6-methylsulfanyl-3-pyridinyl)benzamide
CID 70941244
3-butoxy-N-[5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-yl]benzamide
CID 4525703
N-[5-(3-fluorophenyl)-1,3,4-oxadiazol-2-yl]-3-(pentafluoro-λ6-sulfanyl)benzamide
CID 164839580
3-cyano-N-[[5-(furan-2-yl)-1,2,4-oxadiazol-3-yl]methyl]benzamide
CID 50755586
N-[5-(3-bromophenyl)-1,3,4-oxadiazol-2-yl]-3-methylbenzamide
CID 43976122

Frequently Asked Questions

What is the IUPAC name of 3-cyano-N-[5-[3-(furan-2-yl)phenyl]-1,3,4-oxadiazol-2-yl]benzamide?
The IUPAC name of 3-cyano-N-[5-[3-(furan-2-yl)phenyl]-1,3,4-oxadiazol-2-yl]benzamide (CID 177345157) is 3-cyano-N-[5-[3-(furan-2-yl)phenyl]-1,3,4-oxadiazol-2-yl]benzamide.
What is the SMILES notation for 3-cyano-N-[5-[3-(furan-2-yl)phenyl]-1,3,4-oxadiazol-2-yl]benzamide?
The canonical SMILES for 3-cyano-N-[5-[3-(furan-2-yl)phenyl]-1,3,4-oxadiazol-2-yl]benzamide is N#Cc1cccc(C(=O)Nc2nnc(-c3cccc(-c4ccco4)c3)o2)c1.
What is the InChIKey of 3-cyano-N-[5-[3-(furan-2-yl)phenyl]-1,3,4-oxadiazol-2-yl]benzamide?
The InChIKey is VNNGKLQHTUWFPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H12N4O3/c21-12-13-4-1-6-15(10-13)18(25)22-20-24-23-19(27-20)16-7-2-5-14(11-16)17-8-3-9-26-17/h1-11H,(H,22,24,25).
What are the key properties of 3-cyano-N-[5-[3-(furan-2-yl)phenyl]-1,3,4-oxadiazol-2-yl]benzamide?
3-cyano-N-[5-[3-(furan-2-yl)phenyl]-1,3,4-oxadiazol-2-yl]benzamide has a molecular weight of 356.34 g/mol, XLogP of 4.12, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyano-N-[5-[3-(furan-2-yl)phenyl]-1,3,4-oxadiazol-2-yl]benzamide is sourced from PubChem (CID 177345157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).