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

C21H15N3O3 — CID 89120372

IUPAC3-(4-ethenylphenyl)-N-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]benzamide
SMILESC=Cc1ccc(-c2cccc(C(=O)Nc3nnc(-c4ccco4)o3)c2)cc1
InChIInChI=1S/C21H15N3O3/c1-2-14-8-10-15(11-9-14)16-5-3-6-17(13-16)19(25)22-21-24-23-20(27-21)18-7-4-12-26-18/h2-13H,1H2,(H,22,24,25)
InChIKeyBFJDCVGSLXJOAN-UHFFFAOYSA-N
MW357.37 g/mol
LogP4.89
Rot. Bonds5

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

3-(4-ethenylphenyl)-N-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]benzamide (PubChem CID 89120372) has the molecular formula C21H15N3O3 and a molecular weight of 357.37 g/mol. Its IUPAC name is 3-(4-ethenylphenyl)-N-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]benzamide.

Molecular Properties

Compound Name3-(4-ethenylphenyl)-N-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]benzamide
PubChem CID89120372
Molecular FormulaC21H15N3O3
Molecular Weight357.37 g/mol
Exact Mass357.11
IUPAC Name3-(4-ethenylphenyl)-N-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]benzamide
SMILESC=Cc1ccc(-c2cccc(C(=O)Nc3nnc(-c4ccco4)o3)c2)cc1
InChIInChI=1S/C21H15N3O3/c1-2-14-8-10-15(11-9-14)16-5-3-6-17(13-16)19(25)22-21-24-23-20(27-21)18-7-4-12-26-18/h2-13H,1H2,(H,22,24,25)
InChIKeyBFJDCVGSLXJOAN-UHFFFAOYSA-N
XLogP4.89
TPSA81.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.37
LogP ≤ 54.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]-3-(4-trimethylsilylphenyl)benzamide
CID 70941246
3-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]benzamide
CID 70941439
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
tert-butyl 4-[4-[3-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]carbamoyl]phenyl]phenyl]piperazine-1-carboxylate
CID 53327676
N-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]-3-methylsulfanylbenzamide
CID 7266914
3-cyano-N-[5-[3-(furan-2-yl)phenyl]-1,3,4-oxadiazol-2-yl]benzamide
CID 177345157
3-acetamido-5-[4-(4-ethylphenyl)phenyl]-N-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]benzamide
CID 70941259
3-bromo-5-chloro-N-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]benzamide
CID 70941202
3-bromo-N-[4-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]phenyl]benzamide
CID 2231472
3-bromo-N-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]-5-nitrobenzamide
CID 70941492
N-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]-2-phenyl-6-pyridin-4-ylquinoline-4-carboxamide
CID 67204691

Frequently Asked Questions

What is the IUPAC name of 3-(4-ethenylphenyl)-N-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]benzamide?
The IUPAC name of 3-(4-ethenylphenyl)-N-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]benzamide (CID 89120372) is 3-(4-ethenylphenyl)-N-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]benzamide.
What is the SMILES notation for 3-(4-ethenylphenyl)-N-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]benzamide?
The canonical SMILES for 3-(4-ethenylphenyl)-N-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]benzamide is C=Cc1ccc(-c2cccc(C(=O)Nc3nnc(-c4ccco4)o3)c2)cc1.
What is the InChIKey of 3-(4-ethenylphenyl)-N-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]benzamide?
The InChIKey is BFJDCVGSLXJOAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15N3O3/c1-2-14-8-10-15(11-9-14)16-5-3-6-17(13-16)19(25)22-21-24-23-20(27-21)18-7-4-12-26-18/h2-13H,1H2,(H,22,24,25).
What are the key properties of 3-(4-ethenylphenyl)-N-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]benzamide?
3-(4-ethenylphenyl)-N-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]benzamide has a molecular weight of 357.37 g/mol, XLogP of 4.89, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-ethenylphenyl)-N-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]benzamide is sourced from PubChem (CID 89120372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).