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

C23H19N3O2 — CID 10133689

IUPAC4-[2-methyl-5-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-N-phenylbenzamide
SMILESCc1nnc(-c2ccc(C)c(-c3ccc(C(=O)Nc4ccccc4)cc3)c2)o1
InChIInChI=1S/C23H19N3O2/c1-15-8-9-19(23-26-25-16(2)28-23)14-21(15)17-10-12-18(13-11-17)22(27)24-20-6-4-3-5-7-20/h3-14H,1-2H3,(H,24,27)
InChIKeyPBAMQPAXBMZKMC-UHFFFAOYSA-N
MW369.42 g/mol
LogP5.27
Rot. Bonds4

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

4-[2-methyl-5-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-N-phenylbenzamide (PubChem CID 10133689) has the molecular formula C23H19N3O2 and a molecular weight of 369.42 g/mol. Its IUPAC name is 4-[2-methyl-5-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-N-phenylbenzamide.

Molecular Properties

Compound Name4-[2-methyl-5-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-N-phenylbenzamide
PubChem CID10133689
Molecular FormulaC23H19N3O2
Molecular Weight369.42 g/mol
Exact Mass369.15
IUPAC Name4-[2-methyl-5-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-N-phenylbenzamide
SMILESCc1nnc(-c2ccc(C)c(-c3ccc(C(=O)Nc4ccccc4)cc3)c2)o1
InChIInChI=1S/C23H19N3O2/c1-15-8-9-19(23-26-25-16(2)28-23)14-21(15)17-10-12-18(13-11-17)22(27)24-20-6-4-3-5-7-20/h3-14H,1-2H3,(H,24,27)
InChIKeyPBAMQPAXBMZKMC-UHFFFAOYSA-N
XLogP5.27
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500369.42
LogP ≤ 55.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[2-methyl-5-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-N-phenylbenzamide?
The IUPAC name of 4-[2-methyl-5-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-N-phenylbenzamide (CID 10133689) is 4-[2-methyl-5-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-N-phenylbenzamide.
What is the SMILES notation for 4-[2-methyl-5-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-N-phenylbenzamide?
The canonical SMILES for 4-[2-methyl-5-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-N-phenylbenzamide is Cc1nnc(-c2ccc(C)c(-c3ccc(C(=O)Nc4ccccc4)cc3)c2)o1.
What is the InChIKey of 4-[2-methyl-5-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-N-phenylbenzamide?
The InChIKey is PBAMQPAXBMZKMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19N3O2/c1-15-8-9-19(23-26-25-16(2)28-23)14-21(15)17-10-12-18(13-11-17)22(27)24-20-6-4-3-5-7-20/h3-14H,1-2H3,(H,24,27).
What are the key properties of 4-[2-methyl-5-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-N-phenylbenzamide?
4-[2-methyl-5-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-N-phenylbenzamide has a molecular weight of 369.42 g/mol, XLogP of 5.27, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-methyl-5-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-N-phenylbenzamide is sourced from PubChem (CID 10133689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).