3-(2,4-dimethylphenyl)-5-(3-imidazol-1-ylcyclobutyl)-1,2,4-oxadiazole

C17H18N4O — CID 167771064

IUPAC3-(2,4-dimethylphenyl)-5-(3-imidazol-1-ylcyclobutyl)-1,2,4-oxadiazole
SMILESCc1ccc(-c2noc(C3CC(n4ccnc4)C3)n2)c(C)c1
InChIInChI=1S/C17H18N4O/c1-11-3-4-15(12(2)7-11)16-19-17(22-20-16)13-8-14(9-13)21-6-5-18-10-21/h3-7,10,13-14H,8-9H2,1-2H3
InChIKeyNHWHIOLZUAPSRK-UHFFFAOYSA-N
MW294.36 g/mol
LogP3.67
Rot. Bonds3

About 3-(2,4-dimethylphenyl)-5-(3-imidazol-1-ylcyclobutyl)-1,2,4-oxadiazole

3-(2,4-dimethylphenyl)-5-(3-imidazol-1-ylcyclobutyl)-1,2,4-oxadiazole (PubChem CID 167771064) has the molecular formula C17H18N4O and a molecular weight of 294.36 g/mol. Its IUPAC name is 3-(2,4-dimethylphenyl)-5-(3-imidazol-1-ylcyclobutyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-(2,4-dimethylphenyl)-5-(3-imidazol-1-ylcyclobutyl)-1,2,4-oxadiazole
PubChem CID167771064
Molecular FormulaC17H18N4O
Molecular Weight294.36 g/mol
Exact Mass294.15
IUPAC Name3-(2,4-dimethylphenyl)-5-(3-imidazol-1-ylcyclobutyl)-1,2,4-oxadiazole
SMILESCc1ccc(-c2noc(C3CC(n4ccnc4)C3)n2)c(C)c1
InChIInChI=1S/C17H18N4O/c1-11-3-4-15(12(2)7-11)16-19-17(22-20-16)13-8-14(9-13)21-6-5-18-10-21/h3-7,10,13-14H,8-9H2,1-2H3
InChIKeyNHWHIOLZUAPSRK-UHFFFAOYSA-N
XLogP3.67
TPSA56.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.36
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(2,4-dimethylphenyl)-5-(3-imidazol-1-ylcyclobutyl)-1,2,4-oxadiazole?
The IUPAC name of 3-(2,4-dimethylphenyl)-5-(3-imidazol-1-ylcyclobutyl)-1,2,4-oxadiazole (CID 167771064) is 3-(2,4-dimethylphenyl)-5-(3-imidazol-1-ylcyclobutyl)-1,2,4-oxadiazole.
What is the SMILES notation for 3-(2,4-dimethylphenyl)-5-(3-imidazol-1-ylcyclobutyl)-1,2,4-oxadiazole?
The canonical SMILES for 3-(2,4-dimethylphenyl)-5-(3-imidazol-1-ylcyclobutyl)-1,2,4-oxadiazole is Cc1ccc(-c2noc(C3CC(n4ccnc4)C3)n2)c(C)c1.
What is the InChIKey of 3-(2,4-dimethylphenyl)-5-(3-imidazol-1-ylcyclobutyl)-1,2,4-oxadiazole?
The InChIKey is NHWHIOLZUAPSRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O/c1-11-3-4-15(12(2)7-11)16-19-17(22-20-16)13-8-14(9-13)21-6-5-18-10-21/h3-7,10,13-14H,8-9H2,1-2H3.
What are the key properties of 3-(2,4-dimethylphenyl)-5-(3-imidazol-1-ylcyclobutyl)-1,2,4-oxadiazole?
3-(2,4-dimethylphenyl)-5-(3-imidazol-1-ylcyclobutyl)-1,2,4-oxadiazole has a molecular weight of 294.36 g/mol, XLogP of 3.67, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,4-dimethylphenyl)-5-(3-imidazol-1-ylcyclobutyl)-1,2,4-oxadiazole is sourced from PubChem (CID 167771064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).