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

C21H15N3O2 — CID 4899129

IUPACN-[4-(3-phenyl-1,2,4-oxadiazol-5-yl)phenyl]benzamide
SMILESO=C(Nc1ccc(-c2nc(-c3ccccc3)no2)cc1)c1ccccc1
InChIInChI=1S/C21H15N3O2/c25-20(16-9-5-2-6-10-16)22-18-13-11-17(12-14-18)21-23-19(24-26-21)15-7-3-1-4-8-15/h1-14H,(H,22,25)
InChIKeyCJDTVJMRHGBVJM-UHFFFAOYSA-N
MW341.37 g/mol
LogP4.66
Rot. Bonds4

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

N-[4-(3-phenyl-1,2,4-oxadiazol-5-yl)phenyl]benzamide (PubChem CID 4899129) has the molecular formula C21H15N3O2 and a molecular weight of 341.37 g/mol. Its IUPAC name is N-[4-(3-phenyl-1,2,4-oxadiazol-5-yl)phenyl]benzamide.

Molecular Properties

Compound NameN-[4-(3-phenyl-1,2,4-oxadiazol-5-yl)phenyl]benzamide
PubChem CID4899129
Molecular FormulaC21H15N3O2
Molecular Weight341.37 g/mol
Exact Mass341.12
IUPAC NameN-[4-(3-phenyl-1,2,4-oxadiazol-5-yl)phenyl]benzamide
SMILESO=C(Nc1ccc(-c2nc(-c3ccccc3)no2)cc1)c1ccccc1
InChIInChI=1S/C21H15N3O2/c25-20(16-9-5-2-6-10-16)22-18-13-11-17(12-14-18)21-23-19(24-26-21)15-7-3-1-4-8-15/h1-14H,(H,22,25)
InChIKeyCJDTVJMRHGBVJM-UHFFFAOYSA-N
XLogP4.66
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.37
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[4-(3-phenyl-1,2,4-oxadiazol-5-yl)phenyl]benzamide?
The IUPAC name of N-[4-(3-phenyl-1,2,4-oxadiazol-5-yl)phenyl]benzamide (CID 4899129) is N-[4-(3-phenyl-1,2,4-oxadiazol-5-yl)phenyl]benzamide.
What is the SMILES notation for N-[4-(3-phenyl-1,2,4-oxadiazol-5-yl)phenyl]benzamide?
The canonical SMILES for N-[4-(3-phenyl-1,2,4-oxadiazol-5-yl)phenyl]benzamide is O=C(Nc1ccc(-c2nc(-c3ccccc3)no2)cc1)c1ccccc1.
What is the InChIKey of N-[4-(3-phenyl-1,2,4-oxadiazol-5-yl)phenyl]benzamide?
The InChIKey is CJDTVJMRHGBVJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15N3O2/c25-20(16-9-5-2-6-10-16)22-18-13-11-17(12-14-18)21-23-19(24-26-21)15-7-3-1-4-8-15/h1-14H,(H,22,25).
What are the key properties of N-[4-(3-phenyl-1,2,4-oxadiazol-5-yl)phenyl]benzamide?
N-[4-(3-phenyl-1,2,4-oxadiazol-5-yl)phenyl]benzamide has a molecular weight of 341.37 g/mol, XLogP of 4.66, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3-phenyl-1,2,4-oxadiazol-5-yl)phenyl]benzamide is sourced from PubChem (CID 4899129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).