3-(3-chloro-5-methyl-4-propoxyphenyl)-5-(2-ethyl-6-methyl-4-pyridinyl)-1,2,4-oxadiazole

C20H22ClN3O2 — CID 174629444

IUPAC3-(3-chloro-5-methyl-4-propoxyphenyl)-5-(2-ethyl-6-methyl-4-pyridinyl)-1,2,4-oxadiazole
SMILESCCCOc1c(C)cc(-c2noc(-c3cc(C)nc(CC)c3)n2)cc1Cl
InChIInChI=1S/C20H22ClN3O2/c1-5-7-25-18-12(3)8-14(11-17(18)21)19-23-20(26-24-19)15-9-13(4)22-16(6-2)10-15/h8-11H,5-7H2,1-4H3
InChIKeyREIVKQJZCQEMRO-UHFFFAOYSA-N
MW371.87 g/mol
LogP5.42
Rot. Bonds6

About 3-(3-chloro-5-methyl-4-propoxyphenyl)-5-(2-ethyl-6-methyl-4-pyridinyl)-1,2,4-oxadiazole

3-(3-chloro-5-methyl-4-propoxyphenyl)-5-(2-ethyl-6-methyl-4-pyridinyl)-1,2,4-oxadiazole (PubChem CID 174629444) has the molecular formula C20H22ClN3O2 and a molecular weight of 371.87 g/mol. Its IUPAC name is 3-(3-chloro-5-methyl-4-propoxyphenyl)-5-(2-ethyl-6-methyl-4-pyridinyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-(3-chloro-5-methyl-4-propoxyphenyl)-5-(2-ethyl-6-methyl-4-pyridinyl)-1,2,4-oxadiazole
PubChem CID174629444
Molecular FormulaC20H22ClN3O2
Molecular Weight371.87 g/mol
Exact Mass371.14
IUPAC Name3-(3-chloro-5-methyl-4-propoxyphenyl)-5-(2-ethyl-6-methyl-4-pyridinyl)-1,2,4-oxadiazole
SMILESCCCOc1c(C)cc(-c2noc(-c3cc(C)nc(CC)c3)n2)cc1Cl
InChIInChI=1S/C20H22ClN3O2/c1-5-7-25-18-12(3)8-14(11-17(18)21)19-23-20(26-24-19)15-9-13(4)22-16(6-2)10-15/h8-11H,5-7H2,1-4H3
InChIKeyREIVKQJZCQEMRO-UHFFFAOYSA-N
XLogP5.42
TPSA61.04 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500371.87
LogP ≤ 55.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 3-(3-chloro-5-methyl-4-propoxyphenyl)-5-(2-ethyl-6-methyl-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-[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-dimethyl-4-propoxyphenyl)-5-(2,6-dimethyl-4-pyridinyl)-1,2,4-oxadiazole
CID 174642083
3-(3,5-dimethylphenyl)-5-(2-ethyl-6-methyl-4-pyridinyl)-1,2,4-oxadiazole
CID 141199041
3-(2-ethyl-6-methyl-4-pyridinyl)-5-[2-methyl-6-(2-methylpropyl)-4-pyridinyl]-1,2,4-oxadiazole
CID 25197008
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
(2R)-3-[2-chloro-6-methyl-4-[5-[2-methyl-6-(2-methylpropylamino)-4-pyridinyl]-1,2,4-oxadiazol-3-yl]phenoxy]propane-1,2-diol
CID 68578394
(4S)-5-[2-ethyl-4-[5-(2-ethyl-6-methyl-4-pyridinyl)-1,2,4-oxadiazol-3-yl]-6-methylphenoxy]-2,4-dihydroxypentanamide
CID 140546391
N-[3-[2-ethyl-4-[3-(2-ethyl-6-methyl-4-pyridinyl)-1,2,4-oxadiazol-5-yl]-6-methylphenoxy]-2-hydroxypropyl]-2-hydroxyacetamide
CID 25031864
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
2-[4-[5-[2-(diethylamino)-6-methyl-4-pyridinyl]-1,2,4-oxadiazol-3-yl]-2-ethyl-6-methylphenoxy]ethanol
CID 68578477
(2S)-1-[3-ethyl-5-[5-(2-ethyl-6-methyl-4-pyridinyl)-1,2,4-oxadiazol-3-yl]-2-methoxyphenyl]propan-2-ol
CID 175260512
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

Frequently Asked Questions

What is the IUPAC name of 3-(3-chloro-5-methyl-4-propoxyphenyl)-5-(2-ethyl-6-methyl-4-pyridinyl)-1,2,4-oxadiazole?
The IUPAC name of 3-(3-chloro-5-methyl-4-propoxyphenyl)-5-(2-ethyl-6-methyl-4-pyridinyl)-1,2,4-oxadiazole (CID 174629444) is 3-(3-chloro-5-methyl-4-propoxyphenyl)-5-(2-ethyl-6-methyl-4-pyridinyl)-1,2,4-oxadiazole.
What is the SMILES notation for 3-(3-chloro-5-methyl-4-propoxyphenyl)-5-(2-ethyl-6-methyl-4-pyridinyl)-1,2,4-oxadiazole?
The canonical SMILES for 3-(3-chloro-5-methyl-4-propoxyphenyl)-5-(2-ethyl-6-methyl-4-pyridinyl)-1,2,4-oxadiazole is CCCOc1c(C)cc(-c2noc(-c3cc(C)nc(CC)c3)n2)cc1Cl.
What is the InChIKey of 3-(3-chloro-5-methyl-4-propoxyphenyl)-5-(2-ethyl-6-methyl-4-pyridinyl)-1,2,4-oxadiazole?
The InChIKey is REIVKQJZCQEMRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22ClN3O2/c1-5-7-25-18-12(3)8-14(11-17(18)21)19-23-20(26-24-19)15-9-13(4)22-16(6-2)10-15/h8-11H,5-7H2,1-4H3.
What are the key properties of 3-(3-chloro-5-methyl-4-propoxyphenyl)-5-(2-ethyl-6-methyl-4-pyridinyl)-1,2,4-oxadiazole?
3-(3-chloro-5-methyl-4-propoxyphenyl)-5-(2-ethyl-6-methyl-4-pyridinyl)-1,2,4-oxadiazole has a molecular weight of 371.87 g/mol, XLogP of 5.42, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chloro-5-methyl-4-propoxyphenyl)-5-(2-ethyl-6-methyl-4-pyridinyl)-1,2,4-oxadiazole is sourced from PubChem (CID 174629444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).