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

C19H19N3O2 — CID 53055634

IUPACN-methyl-N-[2-[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]ethyl]benzamide
SMILESCc1ccc(-c2nc(CCN(C)C(=O)c3ccccc3)no2)cc1
InChIInChI=1S/C19H19N3O2/c1-14-8-10-15(11-9-14)18-20-17(21-24-18)12-13-22(2)19(23)16-6-4-3-5-7-16/h3-11H,12-13H2,1-2H3
InChIKeyWLCVMZIZVUNPCA-UHFFFAOYSA-N
MW321.38 g/mol
LogP3.36
Rot. Bonds5

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

N-methyl-N-[2-[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]ethyl]benzamide (PubChem CID 53055634) has the molecular formula C19H19N3O2 and a molecular weight of 321.38 g/mol. Its IUPAC name is N-methyl-N-[2-[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]ethyl]benzamide.

Molecular Properties

Compound NameN-methyl-N-[2-[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]ethyl]benzamide
PubChem CID53055634
Molecular FormulaC19H19N3O2
Molecular Weight321.38 g/mol
Exact Mass321.15
IUPAC NameN-methyl-N-[2-[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]ethyl]benzamide
SMILESCc1ccc(-c2nc(CCN(C)C(=O)c3ccccc3)no2)cc1
InChIInChI=1S/C19H19N3O2/c1-14-8-10-15(11-9-14)18-20-17(21-24-18)12-13-22(2)19(23)16-6-4-3-5-7-16/h3-11H,12-13H2,1-2H3
InChIKeyWLCVMZIZVUNPCA-UHFFFAOYSA-N
XLogP3.36
TPSA59.23 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.38
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N,3-dimethyl-N-[2-[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]ethyl]benzamide
CID 53055616
2-chloro-N-methyl-N-[2-[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]ethyl]benzamide
CID 53055628
N-[2-[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]ethyl]-N,3-dimethylbenzamide
CID 53055748
N-methyl-N-[2-[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]ethyl]-2-phenoxypropanamide
CID 53055639
N-methyl-N-[2-[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]ethyl]-2-phenoxyacetamide
CID 53055635
N-methyl-N-[2-(5-phenyl-1,2,4-oxadiazol-3-yl)ethyl]furan-2-carboxamide
CID 53055574
3-chloro-N-[2-[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]ethyl]-N-methylbenzamide
CID 53055744
1-methyl-1-[2-[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]ethyl]-3-(2-methylpropyl)urea
CID 53055195
N,3-dimethyl-N-[2-[5-[4-(3-methylbutylcarbamoyl)phenyl]-1,2,4-oxadiazol-3-yl]ethyl]benzamide
CID 50817998
2-chloro-N-[2-[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]ethyl]-N-methylbenzamide
CID 53055755
N,4-dimethyl-N-[2-[5-[4-[[(3R)-3-pyrrolidin-1-ylbutyl]carbamoyl]phenyl]-1,2,4-oxadiazol-3-yl]ethyl]benzamide
CID 92895190
2-cyclopentyl-N-methyl-N-[2-[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]ethyl]acetamide
CID 53055620

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[2-[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]ethyl]benzamide?
The IUPAC name of N-methyl-N-[2-[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]ethyl]benzamide (CID 53055634) is N-methyl-N-[2-[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]ethyl]benzamide.
What is the SMILES notation for N-methyl-N-[2-[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]ethyl]benzamide?
The canonical SMILES for N-methyl-N-[2-[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]ethyl]benzamide is Cc1ccc(-c2nc(CCN(C)C(=O)c3ccccc3)no2)cc1.
What is the InChIKey of N-methyl-N-[2-[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]ethyl]benzamide?
The InChIKey is WLCVMZIZVUNPCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O2/c1-14-8-10-15(11-9-14)18-20-17(21-24-18)12-13-22(2)19(23)16-6-4-3-5-7-16/h3-11H,12-13H2,1-2H3.
What are the key properties of N-methyl-N-[2-[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]ethyl]benzamide?
N-methyl-N-[2-[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]ethyl]benzamide has a molecular weight of 321.38 g/mol, XLogP of 3.36, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[2-[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]ethyl]benzamide is sourced from PubChem (CID 53055634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).