3-[4-[3-(6-fluoro-2-pyridinyl)propoxy]-3,5-dimethylphenyl]-5-methyl-1,2,4-oxadiazole

C19H20FN3O2 — CID 10088693

IUPAC3-[4-[3-(6-fluoro-2-pyridinyl)propoxy]-3,5-dimethylphenyl]-5-methyl-1,2,4-oxadiazole
SMILESCc1nc(-c2cc(C)c(OCCCc3cccc(F)n3)c(C)c2)no1
InChIInChI=1S/C19H20FN3O2/c1-12-10-15(19-21-14(3)25-23-19)11-13(2)18(12)24-9-5-7-16-6-4-8-17(20)22-16/h4,6,8,10-11H,5,7,9H2,1-3H3
InChIKeyBZWGTDMEFUDHCF-UHFFFAOYSA-N
MW341.39 g/mol
LogP4.21
Rot. Bonds6

About 3-[4-[3-(6-fluoro-2-pyridinyl)propoxy]-3,5-dimethylphenyl]-5-methyl-1,2,4-oxadiazole

3-[4-[3-(6-fluoro-2-pyridinyl)propoxy]-3,5-dimethylphenyl]-5-methyl-1,2,4-oxadiazole (PubChem CID 10088693) has the molecular formula C19H20FN3O2 and a molecular weight of 341.39 g/mol. Its IUPAC name is 3-[4-[3-(6-fluoro-2-pyridinyl)propoxy]-3,5-dimethylphenyl]-5-methyl-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-[4-[3-(6-fluoro-2-pyridinyl)propoxy]-3,5-dimethylphenyl]-5-methyl-1,2,4-oxadiazole
PubChem CID10088693
Molecular FormulaC19H20FN3O2
Molecular Weight341.39 g/mol
Exact Mass341.15
IUPAC Name3-[4-[3-(6-fluoro-2-pyridinyl)propoxy]-3,5-dimethylphenyl]-5-methyl-1,2,4-oxadiazole
SMILESCc1nc(-c2cc(C)c(OCCCc3cccc(F)n3)c(C)c2)no1
InChIInChI=1S/C19H20FN3O2/c1-12-10-15(19-21-14(3)25-23-19)11-13(2)18(12)24-9-5-7-16-6-4-8-17(20)22-16/h4,6,8,10-11H,5,7,9H2,1-3H3
InChIKeyBZWGTDMEFUDHCF-UHFFFAOYSA-N
XLogP4.21
TPSA61.04 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.39
LogP ≤ 54.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

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-[3,5-dimethyl-4-[3-(1,3,4-thiadiazol-2-yl)propoxy]phenyl]-5-methyl-1,2,4-oxadiazole
CID 67661909
3-[4-[9-[3-(methoxymethyl)-1,2-oxazol-5-yl]nonoxy]-3,5-dimethylphenyl]-5-methyl-1,2,4-oxadiazole
CID 19804365
3-[3,5-dimethyl-4-[3-[[5-(5-methyl-1,2,4-oxadiazol-3-yl)-2-pyridinyl]oxy]propoxy]phenyl]-5-(trifluoromethyl)-1,2,4-oxadiazole
CID 90449142
3-[6-[2-[2,6-dimethyl-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenoxy]ethoxy]-5-fluoro-3-pyridinyl]-5-methyl-1,2,4-oxadiazole
CID 90449161
3-[3,5-dimethyl-4-[3-(3-methyl-1,2-oxazol-5-yl)propoxy]phenyl]-5-(fluoromethyl)-1,2,4-oxadiazole
CID 10472731
3-[3,5-dimethyl-4-[3-(3-phenyl-1,2-oxazol-5-yl)propoxy]phenyl]-5-(trifluoromethyl)-1,2,4-oxadiazole
CID 162667897
5-(difluoromethyl)-3-[3,5-dimethyl-4-[3-(3-methyl-1,2-oxazol-5-yl)propoxy]phenyl]-1,2,4-oxadiazole
CID 10406391
3-[4-[3-[6-(methoxymethyl)-3-pyridinyl]propoxy]-3,5-dimethylphenyl]-5-(trifluoromethyl)-1,2,4-oxadiazole
CID 19082054
3-[3,5-dimethyl-4-(4-pyridin-3-ylbutoxy)phenyl]-5-(trifluoromethyl)-1,2,4-oxadiazole
CID 19082061
[3-[3,5-dimethyl-4-[3-(3-methyl-1,2-oxazol-5-yl)propoxy]phenyl]-1,2,4-oxadiazol-5-yl] acetate
CID 5273036
3-[3,5-dimethyl-4-[3-(3-methyl-1,2-oxazol-5-yl)propoxy]phenyl]-5-(methoxymethyl)-1,2,4-oxadiazole
CID 5273034

Frequently Asked Questions

What is the IUPAC name of 3-[4-[3-(6-fluoro-2-pyridinyl)propoxy]-3,5-dimethylphenyl]-5-methyl-1,2,4-oxadiazole?
The IUPAC name of 3-[4-[3-(6-fluoro-2-pyridinyl)propoxy]-3,5-dimethylphenyl]-5-methyl-1,2,4-oxadiazole (CID 10088693) is 3-[4-[3-(6-fluoro-2-pyridinyl)propoxy]-3,5-dimethylphenyl]-5-methyl-1,2,4-oxadiazole.
What is the SMILES notation for 3-[4-[3-(6-fluoro-2-pyridinyl)propoxy]-3,5-dimethylphenyl]-5-methyl-1,2,4-oxadiazole?
The canonical SMILES for 3-[4-[3-(6-fluoro-2-pyridinyl)propoxy]-3,5-dimethylphenyl]-5-methyl-1,2,4-oxadiazole is Cc1nc(-c2cc(C)c(OCCCc3cccc(F)n3)c(C)c2)no1.
What is the InChIKey of 3-[4-[3-(6-fluoro-2-pyridinyl)propoxy]-3,5-dimethylphenyl]-5-methyl-1,2,4-oxadiazole?
The InChIKey is BZWGTDMEFUDHCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20FN3O2/c1-12-10-15(19-21-14(3)25-23-19)11-13(2)18(12)24-9-5-7-16-6-4-8-17(20)22-16/h4,6,8,10-11H,5,7,9H2,1-3H3.
What are the key properties of 3-[4-[3-(6-fluoro-2-pyridinyl)propoxy]-3,5-dimethylphenyl]-5-methyl-1,2,4-oxadiazole?
3-[4-[3-(6-fluoro-2-pyridinyl)propoxy]-3,5-dimethylphenyl]-5-methyl-1,2,4-oxadiazole has a molecular weight of 341.39 g/mol, XLogP of 4.21, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[3-(6-fluoro-2-pyridinyl)propoxy]-3,5-dimethylphenyl]-5-methyl-1,2,4-oxadiazole is sourced from PubChem (CID 10088693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).