3-(3,4-dimethoxyphenyl)-5-[2-(3,5-dimethylpyrazol-1-yl)propyl]-1,2,4-oxadiazole

C18H22N4O3 — CID 75370380

IUPAC3-(3,4-dimethoxyphenyl)-5-[2-(3,5-dimethylpyrazol-1-yl)propyl]-1,2,4-oxadiazole
SMILESCOc1ccc(-c2noc(CC(C)n3nc(C)cc3C)n2)cc1OC
InChIInChI=1S/C18H22N4O3/c1-11-8-12(2)22(20-11)13(3)9-17-19-18(21-25-17)14-6-7-15(23-4)16(10-14)24-5/h6-8,10,13H,9H2,1-5H3
InChIKeyFXEQFIHOSGMOMR-UHFFFAOYSA-N
MW342.40 g/mol
LogP3.37
Rot. Bonds6

About 3-(3,4-dimethoxyphenyl)-5-[2-(3,5-dimethylpyrazol-1-yl)propyl]-1,2,4-oxadiazole

3-(3,4-dimethoxyphenyl)-5-[2-(3,5-dimethylpyrazol-1-yl)propyl]-1,2,4-oxadiazole (PubChem CID 75370380) has the molecular formula C18H22N4O3 and a molecular weight of 342.40 g/mol. Its IUPAC name is 3-(3,4-dimethoxyphenyl)-5-[2-(3,5-dimethylpyrazol-1-yl)propyl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-(3,4-dimethoxyphenyl)-5-[2-(3,5-dimethylpyrazol-1-yl)propyl]-1,2,4-oxadiazole
PubChem CID75370380
Molecular FormulaC18H22N4O3
Molecular Weight342.40 g/mol
Exact Mass342.17
IUPAC Name3-(3,4-dimethoxyphenyl)-5-[2-(3,5-dimethylpyrazol-1-yl)propyl]-1,2,4-oxadiazole
SMILESCOc1ccc(-c2noc(CC(C)n3nc(C)cc3C)n2)cc1OC
InChIInChI=1S/C18H22N4O3/c1-11-8-12(2)22(20-11)13(3)9-17-19-18(21-25-17)14-6-7-15(23-4)16(10-14)24-5/h6-8,10,13H,9H2,1-5H3
InChIKeyFXEQFIHOSGMOMR-UHFFFAOYSA-N
XLogP3.37
TPSA75.20 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.40
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

3-[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]-1,1-difluoropropan-2-ol
CID 63345956
1-[3-(3-bromo-4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]propan-2-amine
CID 106950862
5-(chloromethyl)-3-(3-methoxy-4-propan-2-yloxyphenyl)-1,2,4-oxadiazole
CID 16779156
3-(3,4-dimethoxyphenyl)-5-(methylsulfonylmethyl)-1,2,4-oxadiazole
CID 47206961
3-(3,4-dimethoxyphenyl)-5-(piperidin-1-ylmethyl)-1,2,4-oxadiazole
CID 2980841
3-[3-(3-bromo-4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-2-methylpropan-1-amine
CID 106950877
3-(3,4-dimethoxyphenyl)-5-heptyl-1,2,4-oxadiazole
CID 19658114
3-(3,4-dimethoxyphenyl)-N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-1,2,4-oxadiazole-5-carboxamide
CID 42569020
2-[[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]isoindole-1,3-dione
CID 17423413
N-[[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-4-methyl-N-propan-2-ylbenzamide
CID 6494658
2-[[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-4-methyl-1,2,4-triazol-3-one
CID 126769322
5-[[5-(4-bromophenyl)tetrazol-2-yl]methyl]-3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazole
CID 18776288

Frequently Asked Questions

What is the IUPAC name of 3-(3,4-dimethoxyphenyl)-5-[2-(3,5-dimethylpyrazol-1-yl)propyl]-1,2,4-oxadiazole?
The IUPAC name of 3-(3,4-dimethoxyphenyl)-5-[2-(3,5-dimethylpyrazol-1-yl)propyl]-1,2,4-oxadiazole (CID 75370380) is 3-(3,4-dimethoxyphenyl)-5-[2-(3,5-dimethylpyrazol-1-yl)propyl]-1,2,4-oxadiazole.
What is the SMILES notation for 3-(3,4-dimethoxyphenyl)-5-[2-(3,5-dimethylpyrazol-1-yl)propyl]-1,2,4-oxadiazole?
The canonical SMILES for 3-(3,4-dimethoxyphenyl)-5-[2-(3,5-dimethylpyrazol-1-yl)propyl]-1,2,4-oxadiazole is COc1ccc(-c2noc(CC(C)n3nc(C)cc3C)n2)cc1OC.
What is the InChIKey of 3-(3,4-dimethoxyphenyl)-5-[2-(3,5-dimethylpyrazol-1-yl)propyl]-1,2,4-oxadiazole?
The InChIKey is FXEQFIHOSGMOMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O3/c1-11-8-12(2)22(20-11)13(3)9-17-19-18(21-25-17)14-6-7-15(23-4)16(10-14)24-5/h6-8,10,13H,9H2,1-5H3.
What are the key properties of 3-(3,4-dimethoxyphenyl)-5-[2-(3,5-dimethylpyrazol-1-yl)propyl]-1,2,4-oxadiazole?
3-(3,4-dimethoxyphenyl)-5-[2-(3,5-dimethylpyrazol-1-yl)propyl]-1,2,4-oxadiazole has a molecular weight of 342.40 g/mol, XLogP of 3.37, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-dimethoxyphenyl)-5-[2-(3,5-dimethylpyrazol-1-yl)propyl]-1,2,4-oxadiazole is sourced from PubChem (CID 75370380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).