N-[5-(2,5-dimethylphenyl)-1,3,4-oxadiazol-2-yl]-3-phenoxybenzamide

C23H19N3O3 — CID 16821846

IUPACN-[5-(2,5-dimethylphenyl)-1,3,4-oxadiazol-2-yl]-3-phenoxybenzamide
SMILESCc1ccc(C)c(-c2nnc(NC(=O)c3cccc(Oc4ccccc4)c3)o2)c1
InChIInChI=1S/C23H19N3O3/c1-15-11-12-16(2)20(13-15)22-25-26-23(29-22)24-21(27)17-7-6-10-19(14-17)28-18-8-4-3-5-9-18/h3-14H,1-2H3,(H,24,26,27)
InChIKeyKDBHOXDZMDYITJ-UHFFFAOYSA-N
MW385.42 g/mol
LogP5.40
Rot. Bonds5

About N-[5-(2,5-dimethylphenyl)-1,3,4-oxadiazol-2-yl]-3-phenoxybenzamide

N-[5-(2,5-dimethylphenyl)-1,3,4-oxadiazol-2-yl]-3-phenoxybenzamide (PubChem CID 16821846) has the molecular formula C23H19N3O3 and a molecular weight of 385.42 g/mol. Its IUPAC name is N-[5-(2,5-dimethylphenyl)-1,3,4-oxadiazol-2-yl]-3-phenoxybenzamide.

Molecular Properties

Compound NameN-[5-(2,5-dimethylphenyl)-1,3,4-oxadiazol-2-yl]-3-phenoxybenzamide
PubChem CID16821846
Molecular FormulaC23H19N3O3
Molecular Weight385.42 g/mol
Exact Mass385.14
IUPAC NameN-[5-(2,5-dimethylphenyl)-1,3,4-oxadiazol-2-yl]-3-phenoxybenzamide
SMILESCc1ccc(C)c(-c2nnc(NC(=O)c3cccc(Oc4ccccc4)c3)o2)c1
InChIInChI=1S/C23H19N3O3/c1-15-11-12-16(2)20(13-15)22-25-26-23(29-22)24-21(27)17-7-6-10-19(14-17)28-18-8-4-3-5-9-18/h3-14H,1-2H3,(H,24,26,27)
InChIKeyKDBHOXDZMDYITJ-UHFFFAOYSA-N
XLogP5.40
TPSA77.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500385.42
LogP ≤ 55.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[5-(2,5-dimethylphenyl)-1,3,4-oxadiazol-2-yl]-3-fluorobenzamide
CID 7533241
N-[5-(2,5-dimethylphenyl)-1,3,4-oxadiazol-2-yl]-3,4-dimethoxybenzamide
CID 7533252
4-chloro-N-[5-(2,5-dimethylphenyl)-1,3,4-oxadiazol-2-yl]benzamide
CID 8608540
2-chloro-N-[5-(2,5-dimethylphenyl)-1,3,4-oxadiazol-2-yl]benzamide
CID 7244080
N-[5-(2,5-dimethylphenyl)-1,3,4-oxadiazol-2-yl]-1,3-benzothiazole-6-carboxamide
CID 7533286
N-[5-(2,5-dimethylphenyl)-1,3,4-oxadiazol-2-yl]-3-[(4-fluorophenyl)sulfonylamino]benzamide
CID 121042003
N-[5-(2,5-dimethylphenyl)-1,3,4-oxadiazol-2-yl]-4-ethylsulfanylbenzamide
CID 41044404
N-[5-(7-methoxy-1-benzofuran-2-yl)-1,3,4-oxadiazol-2-yl]-3-phenoxybenzamide
CID 40956716
3-methyl-N-[3-[(5-phenyl-1,3,4-oxadiazol-2-yl)carbamoyl]phenyl]benzamide
CID 45021441
4-[benzyl(propan-2-yl)sulfamoyl]-N-[5-(2,5-dimethylphenyl)-1,3,4-oxadiazol-2-yl]benzamide
CID 16810027
N-[5-(2,5-dimethylphenyl)-1,3,4-oxadiazol-2-yl]-1-methylpyrazole-3-carboxamide
CID 45284717
N-(2-methylphenyl)-3-phenoxybenzamide
CID 2097138

Frequently Asked Questions

What is the IUPAC name of N-[5-(2,5-dimethylphenyl)-1,3,4-oxadiazol-2-yl]-3-phenoxybenzamide?
The IUPAC name of N-[5-(2,5-dimethylphenyl)-1,3,4-oxadiazol-2-yl]-3-phenoxybenzamide (CID 16821846) is N-[5-(2,5-dimethylphenyl)-1,3,4-oxadiazol-2-yl]-3-phenoxybenzamide.
What is the SMILES notation for N-[5-(2,5-dimethylphenyl)-1,3,4-oxadiazol-2-yl]-3-phenoxybenzamide?
The canonical SMILES for N-[5-(2,5-dimethylphenyl)-1,3,4-oxadiazol-2-yl]-3-phenoxybenzamide is Cc1ccc(C)c(-c2nnc(NC(=O)c3cccc(Oc4ccccc4)c3)o2)c1.
What is the InChIKey of N-[5-(2,5-dimethylphenyl)-1,3,4-oxadiazol-2-yl]-3-phenoxybenzamide?
The InChIKey is KDBHOXDZMDYITJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19N3O3/c1-15-11-12-16(2)20(13-15)22-25-26-23(29-22)24-21(27)17-7-6-10-19(14-17)28-18-8-4-3-5-9-18/h3-14H,1-2H3,(H,24,26,27).
What are the key properties of N-[5-(2,5-dimethylphenyl)-1,3,4-oxadiazol-2-yl]-3-phenoxybenzamide?
N-[5-(2,5-dimethylphenyl)-1,3,4-oxadiazol-2-yl]-3-phenoxybenzamide has a molecular weight of 385.42 g/mol, XLogP of 5.40, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(2,5-dimethylphenyl)-1,3,4-oxadiazol-2-yl]-3-phenoxybenzamide is sourced from PubChem (CID 16821846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).