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

C22H17N3O2 — CID 170458732

IUPAC4-methyl-N-[2-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]benzamide
SMILESCc1ccc(C(=O)Nc2ccccc2-c2nnc(-c3ccccc3)o2)cc1
InChIInChI=1S/C22H17N3O2/c1-15-11-13-16(14-12-15)20(26)23-19-10-6-5-9-18(19)22-25-24-21(27-22)17-7-3-2-4-8-17/h2-14H,1H3,(H,23,26)
InChIKeyWYXPVDWUGGAZKD-UHFFFAOYSA-N
MW355.40 g/mol
LogP4.96
Rot. Bonds4

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

4-methyl-N-[2-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]benzamide (PubChem CID 170458732) has the molecular formula C22H17N3O2 and a molecular weight of 355.40 g/mol. Its IUPAC name is 4-methyl-N-[2-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]benzamide.

Molecular Properties

Compound Name4-methyl-N-[2-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]benzamide
PubChem CID170458732
Molecular FormulaC22H17N3O2
Molecular Weight355.40 g/mol
Exact Mass355.13
IUPAC Name4-methyl-N-[2-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]benzamide
SMILESCc1ccc(C(=O)Nc2ccccc2-c2nnc(-c3ccccc3)o2)cc1
InChIInChI=1S/C22H17N3O2/c1-15-11-13-16(14-12-15)20(26)23-19-10-6-5-9-18(19)22-25-24-21(27-22)17-7-3-2-4-8-17/h2-14H,1H3,(H,23,26)
InChIKeyWYXPVDWUGGAZKD-UHFFFAOYSA-N
XLogP4.96
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.40
LogP ≤ 54.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[2-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]benzamide?
The IUPAC name of 4-methyl-N-[2-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]benzamide (CID 170458732) is 4-methyl-N-[2-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]benzamide.
What is the SMILES notation for 4-methyl-N-[2-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]benzamide?
The canonical SMILES for 4-methyl-N-[2-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]benzamide is Cc1ccc(C(=O)Nc2ccccc2-c2nnc(-c3ccccc3)o2)cc1.
What is the InChIKey of 4-methyl-N-[2-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]benzamide?
The InChIKey is WYXPVDWUGGAZKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17N3O2/c1-15-11-13-16(14-12-15)20(26)23-19-10-6-5-9-18(19)22-25-24-21(27-22)17-7-3-2-4-8-17/h2-14H,1H3,(H,23,26).
What are the key properties of 4-methyl-N-[2-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]benzamide?
4-methyl-N-[2-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]benzamide has a molecular weight of 355.40 g/mol, XLogP of 4.96, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[2-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]benzamide is sourced from PubChem (CID 170458732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).