3-(3,5-dimethyl-4-propoxyphenyl)-5-(2,6-dimethyl-4-pyridinyl)-1,2,4-oxadiazole

C20H23N3O2 — CID 174642083

IUPAC3-(3,5-dimethyl-4-propoxyphenyl)-5-(2,6-dimethyl-4-pyridinyl)-1,2,4-oxadiazole
SMILESCCCOc1c(C)cc(-c2noc(-c3cc(C)nc(C)c3)n2)cc1C
InChIInChI=1S/C20H23N3O2/c1-6-7-24-18-12(2)8-16(9-13(18)3)19-22-20(25-23-19)17-10-14(4)21-15(5)11-17/h8-11H,6-7H2,1-5H3
InChIKeyRWERFOKNQFXXQQ-UHFFFAOYSA-N
MW337.42 g/mol
LogP4.82
Rot. Bonds5

About 3-(3,5-dimethyl-4-propoxyphenyl)-5-(2,6-dimethyl-4-pyridinyl)-1,2,4-oxadiazole

3-(3,5-dimethyl-4-propoxyphenyl)-5-(2,6-dimethyl-4-pyridinyl)-1,2,4-oxadiazole (PubChem CID 174642083) has the molecular formula C20H23N3O2 and a molecular weight of 337.42 g/mol. Its IUPAC name is 3-(3,5-dimethyl-4-propoxyphenyl)-5-(2,6-dimethyl-4-pyridinyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-(3,5-dimethyl-4-propoxyphenyl)-5-(2,6-dimethyl-4-pyridinyl)-1,2,4-oxadiazole
PubChem CID174642083
Molecular FormulaC20H23N3O2
Molecular Weight337.42 g/mol
Exact Mass337.18
IUPAC Name3-(3,5-dimethyl-4-propoxyphenyl)-5-(2,6-dimethyl-4-pyridinyl)-1,2,4-oxadiazole
SMILESCCCOc1c(C)cc(-c2noc(-c3cc(C)nc(C)c3)n2)cc1C
InChIInChI=1S/C20H23N3O2/c1-6-7-24-18-12(2)8-16(9-13(18)3)19-22-20(25-23-19)17-10-14(4)21-15(5)11-17/h8-11H,6-7H2,1-5H3
InChIKeyRWERFOKNQFXXQQ-UHFFFAOYSA-N
XLogP4.82
TPSA61.04 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.42
LogP ≤ 54.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 3-(3,5-dimethyl-4-propoxyphenyl)-5-(2,6-dimethyl-4-pyridinyl)-1,2,4-oxadiazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(3-chloro-5-methyl-4-propoxyphenyl)-5-(2-ethyl-6-methyl-4-pyridinyl)-1,2,4-oxadiazole
CID 174629444
2-N,6-N-diethyl-4-[3-(3-ethyl-5-methyl-4-propoxyphenyl)-1,2,4-oxadiazol-5-yl]pyridine-2,6-diamine
CID 174629246
2-[4-[5-[2-(diethylamino)-6-methyl-4-pyridinyl]-1,2,4-oxadiazol-3-yl]-2-ethyl-6-methylphenoxy]ethanol
CID 68578477
2-[4-[5-(5,6-diethyl-3-pyridinyl)-1,2,4-oxadiazol-3-yl]-2-ethyl-6-methylphenoxy]ethanol
CID 59392484
3-(3,5-dimethyl-4-propoxyphenyl)-5-[(2S)-piperidin-2-yl]-1,2,4-oxadiazole
CID 97179482
2-[2-[4-[5-[2-(diethylamino)-6-methyl-4-pyridinyl]-1,2,4-oxadiazol-3-yl]-2-ethyl-6-methylphenoxy]ethylamino]ethanol
CID 68579546
3-[3-[2,6-dimethyl-4-(5-methyl-1,2,4-oxadiazol-3-yl)phenoxy]propyl]-5-phenyl-1,2,4-oxadiazole
CID 71581982
3-[2-chloro-4-[5-(2-ethyl-6-methyl-4-pyridinyl)-1,2,4-oxadiazol-3-yl]-6-methylphenoxy]propane-1,2-diol
CID 68551053
3-(3,5-dimethylphenyl)-5-(2-ethyl-6-methyl-4-pyridinyl)-1,2,4-oxadiazole
CID 141199041
3-[2-methyl-4-[5-[2-methyl-6-(2-methylpropyl)-4-pyridinyl]-1,2,4-oxadiazol-3-yl]-6-propylphenoxy]propane-1,2-diol
CID 68555668
1-amino-3-[2-ethyl-6-methyl-4-[5-[2-methyl-6-(2-methylpropyl)-4-pyridinyl]-1,2,4-oxadiazol-3-yl]phenoxy]propan-2-ol
CID 59234765
3-(4-methylphenyl)-5-(3-propoxyphenyl)-1,2,4-oxadiazole
CID 46300212

Frequently Asked Questions

What is the IUPAC name of 3-(3,5-dimethyl-4-propoxyphenyl)-5-(2,6-dimethyl-4-pyridinyl)-1,2,4-oxadiazole?
The IUPAC name of 3-(3,5-dimethyl-4-propoxyphenyl)-5-(2,6-dimethyl-4-pyridinyl)-1,2,4-oxadiazole (CID 174642083) is 3-(3,5-dimethyl-4-propoxyphenyl)-5-(2,6-dimethyl-4-pyridinyl)-1,2,4-oxadiazole.
What is the SMILES notation for 3-(3,5-dimethyl-4-propoxyphenyl)-5-(2,6-dimethyl-4-pyridinyl)-1,2,4-oxadiazole?
The canonical SMILES for 3-(3,5-dimethyl-4-propoxyphenyl)-5-(2,6-dimethyl-4-pyridinyl)-1,2,4-oxadiazole is CCCOc1c(C)cc(-c2noc(-c3cc(C)nc(C)c3)n2)cc1C.
What is the InChIKey of 3-(3,5-dimethyl-4-propoxyphenyl)-5-(2,6-dimethyl-4-pyridinyl)-1,2,4-oxadiazole?
The InChIKey is RWERFOKNQFXXQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O2/c1-6-7-24-18-12(2)8-16(9-13(18)3)19-22-20(25-23-19)17-10-14(4)21-15(5)11-17/h8-11H,6-7H2,1-5H3.
What are the key properties of 3-(3,5-dimethyl-4-propoxyphenyl)-5-(2,6-dimethyl-4-pyridinyl)-1,2,4-oxadiazole?
3-(3,5-dimethyl-4-propoxyphenyl)-5-(2,6-dimethyl-4-pyridinyl)-1,2,4-oxadiazole has a molecular weight of 337.42 g/mol, XLogP of 4.82, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,5-dimethyl-4-propoxyphenyl)-5-(2,6-dimethyl-4-pyridinyl)-1,2,4-oxadiazole is sourced from PubChem (CID 174642083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).