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

C19H19N3O3 — CID 7244069

IUPACN-[5-(2,4-dimethylphenyl)-1,3,4-oxadiazol-2-yl]-4-ethoxybenzamide
SMILESCCOc1ccc(C(=O)Nc2nnc(-c3ccc(C)cc3C)o2)cc1
InChIInChI=1S/C19H19N3O3/c1-4-24-15-8-6-14(7-9-15)17(23)20-19-22-21-18(25-19)16-10-5-12(2)11-13(16)3/h5-11H,4H2,1-3H3,(H,20,22,23)
InChIKeyGDGRKCSSQBRKAK-UHFFFAOYSA-N
MW337.38 g/mol
LogP4.00
Rot. Bonds5

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

N-[5-(2,4-dimethylphenyl)-1,3,4-oxadiazol-2-yl]-4-ethoxybenzamide (PubChem CID 7244069) has the molecular formula C19H19N3O3 and a molecular weight of 337.38 g/mol. Its IUPAC name is N-[5-(2,4-dimethylphenyl)-1,3,4-oxadiazol-2-yl]-4-ethoxybenzamide.

Molecular Properties

Compound NameN-[5-(2,4-dimethylphenyl)-1,3,4-oxadiazol-2-yl]-4-ethoxybenzamide
PubChem CID7244069
Molecular FormulaC19H19N3O3
Molecular Weight337.38 g/mol
Exact Mass337.14
IUPAC NameN-[5-(2,4-dimethylphenyl)-1,3,4-oxadiazol-2-yl]-4-ethoxybenzamide
SMILESCCOc1ccc(C(=O)Nc2nnc(-c3ccc(C)cc3C)o2)cc1
InChIInChI=1S/C19H19N3O3/c1-4-24-15-8-6-14(7-9-15)17(23)20-19-22-21-18(25-19)16-10-5-12(2)11-13(16)3/h5-11H,4H2,1-3H3,(H,20,22,23)
InChIKeyGDGRKCSSQBRKAK-UHFFFAOYSA-N
XLogP4.00
TPSA77.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.38
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[5-(2,4-dimethylphenyl)-1,3,4-oxadiazol-2-yl]-4-ethoxybenzamide?
The IUPAC name of N-[5-(2,4-dimethylphenyl)-1,3,4-oxadiazol-2-yl]-4-ethoxybenzamide (CID 7244069) is N-[5-(2,4-dimethylphenyl)-1,3,4-oxadiazol-2-yl]-4-ethoxybenzamide.
What is the SMILES notation for N-[5-(2,4-dimethylphenyl)-1,3,4-oxadiazol-2-yl]-4-ethoxybenzamide?
The canonical SMILES for N-[5-(2,4-dimethylphenyl)-1,3,4-oxadiazol-2-yl]-4-ethoxybenzamide is CCOc1ccc(C(=O)Nc2nnc(-c3ccc(C)cc3C)o2)cc1.
What is the InChIKey of N-[5-(2,4-dimethylphenyl)-1,3,4-oxadiazol-2-yl]-4-ethoxybenzamide?
The InChIKey is GDGRKCSSQBRKAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O3/c1-4-24-15-8-6-14(7-9-15)17(23)20-19-22-21-18(25-19)16-10-5-12(2)11-13(16)3/h5-11H,4H2,1-3H3,(H,20,22,23).
What are the key properties of N-[5-(2,4-dimethylphenyl)-1,3,4-oxadiazol-2-yl]-4-ethoxybenzamide?
N-[5-(2,4-dimethylphenyl)-1,3,4-oxadiazol-2-yl]-4-ethoxybenzamide has a molecular weight of 337.38 g/mol, XLogP of 4.00, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(2,4-dimethylphenyl)-1,3,4-oxadiazol-2-yl]-4-ethoxybenzamide is sourced from PubChem (CID 7244069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).