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

C19H19N3O2 — CID 8608535

IUPACN-[5-(2,4-dimethylphenyl)-1,3,4-oxadiazol-2-yl]-2,4-dimethylbenzamide
SMILESCc1ccc(C(=O)Nc2nnc(-c3ccc(C)cc3C)o2)c(C)c1
InChIInChI=1S/C19H19N3O2/c1-11-5-7-15(13(3)9-11)17(23)20-19-22-21-18(24-19)16-8-6-12(2)10-14(16)4/h5-10H,1-4H3,(H,20,22,23)
InChIKeyNQKQPUXOUOOPSM-UHFFFAOYSA-N
MW321.38 g/mol
LogP4.22
Rot. Bonds3

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

N-[5-(2,4-dimethylphenyl)-1,3,4-oxadiazol-2-yl]-2,4-dimethylbenzamide (PubChem CID 8608535) has the molecular formula C19H19N3O2 and a molecular weight of 321.38 g/mol. Its IUPAC name is N-[5-(2,4-dimethylphenyl)-1,3,4-oxadiazol-2-yl]-2,4-dimethylbenzamide.

Molecular Properties

Compound NameN-[5-(2,4-dimethylphenyl)-1,3,4-oxadiazol-2-yl]-2,4-dimethylbenzamide
PubChem CID8608535
Molecular FormulaC19H19N3O2
Molecular Weight321.38 g/mol
Exact Mass321.15
IUPAC NameN-[5-(2,4-dimethylphenyl)-1,3,4-oxadiazol-2-yl]-2,4-dimethylbenzamide
SMILESCc1ccc(C(=O)Nc2nnc(-c3ccc(C)cc3C)o2)c(C)c1
InChIInChI=1S/C19H19N3O2/c1-11-5-7-15(13(3)9-11)17(23)20-19-22-21-18(24-19)16-8-6-12(2)10-14(16)4/h5-10H,1-4H3,(H,20,22,23)
InChIKeyNQKQPUXOUOOPSM-UHFFFAOYSA-N
XLogP4.22
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.38
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-chloro-N-[5-(2,4-dimethylphenyl)-1,3,4-oxadiazol-2-yl]benzamide
CID 16821770
N-[5-(2,4-dimethylphenyl)-1,3,4-oxadiazol-2-yl]-3,4-dimethoxybenzamide
CID 7244051
N-[5-(2,4-dimethylphenyl)-1,3,4-oxadiazol-2-yl]-3,5-dimethoxybenzamide
CID 7533207
N-[5-(2,4-dimethylphenyl)-1,3,4-oxadiazol-2-yl]-4-[(4-methylphenyl)sulfonylamino]benzamide
CID 121044015
2-chloro-N-[5-(2,5-dimethylphenyl)-1,3,4-oxadiazol-2-yl]benzamide
CID 7244080
N-[5-(2,4-dimethylphenyl)-1,3,4-oxadiazol-2-yl]-5-nitrothiophene-2-carboxamide
CID 7244049
4-[cyclopropyl(methyl)sulfamoyl]-N-[5-(2,4-dimethylphenyl)-1,3,4-oxadiazol-2-yl]benzamide
CID 41364015
N-[5-(2,4-dimethylphenyl)-1,3,4-oxadiazol-2-yl]-2-thiophen-2-ylquinoline-4-carboxamide
CID 16821787
4-chloro-N-[5-(2,5-dimethylphenyl)-1,3,4-oxadiazol-2-yl]benzamide
CID 8608540
3-chloro-N-[5-(2,4-dimethylphenyl)-1,3,4-oxadiazol-2-yl]-1-benzothiophene-2-carboxamide
CID 16821785
2,4-dimethyl-N-(1,3,4-oxadiazol-2-yl)benzamide
CID 148797185
N-[5-(2,4-dimethylphenyl)-1,3,4-oxadiazol-2-yl]-4-(3,5-dimethylpiperidin-1-yl)sulfonylbenzamide
CID 16821788

Frequently Asked Questions

What is the IUPAC name of N-[5-(2,4-dimethylphenyl)-1,3,4-oxadiazol-2-yl]-2,4-dimethylbenzamide?
The IUPAC name of N-[5-(2,4-dimethylphenyl)-1,3,4-oxadiazol-2-yl]-2,4-dimethylbenzamide (CID 8608535) is N-[5-(2,4-dimethylphenyl)-1,3,4-oxadiazol-2-yl]-2,4-dimethylbenzamide.
What is the SMILES notation for N-[5-(2,4-dimethylphenyl)-1,3,4-oxadiazol-2-yl]-2,4-dimethylbenzamide?
The canonical SMILES for N-[5-(2,4-dimethylphenyl)-1,3,4-oxadiazol-2-yl]-2,4-dimethylbenzamide is Cc1ccc(C(=O)Nc2nnc(-c3ccc(C)cc3C)o2)c(C)c1.
What is the InChIKey of N-[5-(2,4-dimethylphenyl)-1,3,4-oxadiazol-2-yl]-2,4-dimethylbenzamide?
The InChIKey is NQKQPUXOUOOPSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O2/c1-11-5-7-15(13(3)9-11)17(23)20-19-22-21-18(24-19)16-8-6-12(2)10-14(16)4/h5-10H,1-4H3,(H,20,22,23).
What are the key properties of N-[5-(2,4-dimethylphenyl)-1,3,4-oxadiazol-2-yl]-2,4-dimethylbenzamide?
N-[5-(2,4-dimethylphenyl)-1,3,4-oxadiazol-2-yl]-2,4-dimethylbenzamide has a molecular weight of 321.38 g/mol, XLogP of 4.22, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(2,4-dimethylphenyl)-1,3,4-oxadiazol-2-yl]-2,4-dimethylbenzamide is sourced from PubChem (CID 8608535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).