5-(3,5-dimethylphenyl)-3-[3-(2-ethylpyrazol-3-yl)phenyl]-1,2,4-oxadiazole

C21H20N4O — CID 53138557

IUPAC5-(3,5-dimethylphenyl)-3-[3-(2-ethylpyrazol-3-yl)phenyl]-1,2,4-oxadiazole
SMILESCCn1nccc1-c1cccc(-c2noc(-c3cc(C)cc(C)c3)n2)c1
InChIInChI=1S/C21H20N4O/c1-4-25-19(8-9-22-25)16-6-5-7-17(13-16)20-23-21(26-24-20)18-11-14(2)10-15(3)12-18/h5-13H,4H2,1-3H3
InChIKeyAKWLYIZLFAQXDN-UHFFFAOYSA-N
MW344.42 g/mol
LogP4.90
Rot. Bonds4

About 5-(3,5-dimethylphenyl)-3-[3-(2-ethylpyrazol-3-yl)phenyl]-1,2,4-oxadiazole

5-(3,5-dimethylphenyl)-3-[3-(2-ethylpyrazol-3-yl)phenyl]-1,2,4-oxadiazole (PubChem CID 53138557) has the molecular formula C21H20N4O and a molecular weight of 344.42 g/mol. Its IUPAC name is 5-(3,5-dimethylphenyl)-3-[3-(2-ethylpyrazol-3-yl)phenyl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-(3,5-dimethylphenyl)-3-[3-(2-ethylpyrazol-3-yl)phenyl]-1,2,4-oxadiazole
PubChem CID53138557
Molecular FormulaC21H20N4O
Molecular Weight344.42 g/mol
Exact Mass344.16
IUPAC Name5-(3,5-dimethylphenyl)-3-[3-(2-ethylpyrazol-3-yl)phenyl]-1,2,4-oxadiazole
SMILESCCn1nccc1-c1cccc(-c2noc(-c3cc(C)cc(C)c3)n2)c1
InChIInChI=1S/C21H20N4O/c1-4-25-19(8-9-22-25)16-6-5-7-17(13-16)20-23-21(26-24-20)18-11-14(2)10-15(3)12-18/h5-13H,4H2,1-3H3
InChIKeyAKWLYIZLFAQXDN-UHFFFAOYSA-N
XLogP4.90
TPSA56.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.42
LogP ≤ 54.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-[3-(2-ethylpyrazol-3-yl)phenyl]-5-thiophen-2-yl-1,2,4-oxadiazole
CID 53138563
5-(2-ethylpyrazol-3-yl)-3-phenyl-1,2,4-oxadiazole
CID 19324384
N-[3-[3-[3-(2-ethylpyrazol-3-yl)phenyl]-1,2,4-oxadiazol-5-yl]phenyl]furan-2-carboxamide
CID 53138548
N-[1-[3-[3-(2-ethylpyrazol-3-yl)phenyl]-1,2,4-oxadiazol-5-yl]ethyl]benzamide
CID 53043089
(4S)-4-[3-[3-(2-ethylpyrazol-3-yl)phenyl]-1,2,4-oxadiazol-5-yl]-1-(4-methylphenyl)pyrrolidin-2-one
CID 95094188
3-(2-ethylpyrazol-3-yl)-5-methylaniline
CID 107579556
5-[1-(3-chlorophenoxy)ethyl]-3-[3-(2-ethylpyrazol-3-yl)phenyl]-1,2,4-oxadiazole
CID 53012119
3-[3-[5-[3,5-bis[3-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-1,2,4-oxadiazol-5-yl]phenyl]-1,2,4-oxadiazol-3-yl]phenyl]-5-methyl-1,2,4-oxadiazole
CID 67475214
3-(3-methylphenyl)-5-phenyl-1,2,4-oxadiazole
CID 2239223
3-(3-methylphenyl)-5-pyridin-4-yl-1,2,4-oxadiazole
CID 2237693
N-[(1R)-1-[3-[3-(2-ethylpyrazol-3-yl)phenyl]-1,2,4-oxadiazol-5-yl]-2-methylpropyl]furan-2-carboxamide
CID 95094183
5-(3,4-diethoxyphenyl)-3-[3-(2-methylpyrazol-3-yl)phenyl]-1,2,4-oxadiazole
CID 53138486

Frequently Asked Questions

What is the IUPAC name of 5-(3,5-dimethylphenyl)-3-[3-(2-ethylpyrazol-3-yl)phenyl]-1,2,4-oxadiazole?
The IUPAC name of 5-(3,5-dimethylphenyl)-3-[3-(2-ethylpyrazol-3-yl)phenyl]-1,2,4-oxadiazole (CID 53138557) is 5-(3,5-dimethylphenyl)-3-[3-(2-ethylpyrazol-3-yl)phenyl]-1,2,4-oxadiazole.
What is the SMILES notation for 5-(3,5-dimethylphenyl)-3-[3-(2-ethylpyrazol-3-yl)phenyl]-1,2,4-oxadiazole?
The canonical SMILES for 5-(3,5-dimethylphenyl)-3-[3-(2-ethylpyrazol-3-yl)phenyl]-1,2,4-oxadiazole is CCn1nccc1-c1cccc(-c2noc(-c3cc(C)cc(C)c3)n2)c1.
What is the InChIKey of 5-(3,5-dimethylphenyl)-3-[3-(2-ethylpyrazol-3-yl)phenyl]-1,2,4-oxadiazole?
The InChIKey is AKWLYIZLFAQXDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N4O/c1-4-25-19(8-9-22-25)16-6-5-7-17(13-16)20-23-21(26-24-20)18-11-14(2)10-15(3)12-18/h5-13H,4H2,1-3H3.
What are the key properties of 5-(3,5-dimethylphenyl)-3-[3-(2-ethylpyrazol-3-yl)phenyl]-1,2,4-oxadiazole?
5-(3,5-dimethylphenyl)-3-[3-(2-ethylpyrazol-3-yl)phenyl]-1,2,4-oxadiazole has a molecular weight of 344.42 g/mol, XLogP of 4.90, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,5-dimethylphenyl)-3-[3-(2-ethylpyrazol-3-yl)phenyl]-1,2,4-oxadiazole is sourced from PubChem (CID 53138557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).