1-[3-[5-(3,4-diethoxyphenyl)-1,2,4-oxadiazol-3-yl]phenyl]-N,N-dimethylmethanamine

C21H25N3O3 — CID 25110262

IUPAC1-[3-[5-(3,4-diethoxyphenyl)-1,2,4-oxadiazol-3-yl]phenyl]-N,N-dimethylmethanamine
SMILESCCOc1ccc(-c2nc(-c3cccc(CN(C)C)c3)no2)cc1OCC
InChIInChI=1S/C21H25N3O3/c1-5-25-18-11-10-17(13-19(18)26-6-2)21-22-20(23-27-21)16-9-7-8-15(12-16)14-24(3)4/h7-13H,5-6,14H2,1-4H3
InChIKeyFSJKZZHGDXEUJO-UHFFFAOYSA-N
MW367.45 g/mol
LogP4.26
Rot. Bonds8

About 1-[3-[5-(3,4-diethoxyphenyl)-1,2,4-oxadiazol-3-yl]phenyl]-N,N-dimethylmethanamine

1-[3-[5-(3,4-diethoxyphenyl)-1,2,4-oxadiazol-3-yl]phenyl]-N,N-dimethylmethanamine (PubChem CID 25110262) has the molecular formula C21H25N3O3 and a molecular weight of 367.45 g/mol. Its IUPAC name is 1-[3-[5-(3,4-diethoxyphenyl)-1,2,4-oxadiazol-3-yl]phenyl]-N,N-dimethylmethanamine.

Molecular Properties

Compound Name1-[3-[5-(3,4-diethoxyphenyl)-1,2,4-oxadiazol-3-yl]phenyl]-N,N-dimethylmethanamine
PubChem CID25110262
Molecular FormulaC21H25N3O3
Molecular Weight367.45 g/mol
Exact Mass367.19
IUPAC Name1-[3-[5-(3,4-diethoxyphenyl)-1,2,4-oxadiazol-3-yl]phenyl]-N,N-dimethylmethanamine
SMILESCCOc1ccc(-c2nc(-c3cccc(CN(C)C)c3)no2)cc1OCC
InChIInChI=1S/C21H25N3O3/c1-5-25-18-11-10-17(13-19(18)26-6-2)21-22-20(23-27-21)16-9-7-8-15(12-16)14-24(3)4/h7-13H,5-6,14H2,1-4H3
InChIKeyFSJKZZHGDXEUJO-UHFFFAOYSA-N
XLogP4.26
TPSA60.62 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.45
LogP ≤ 54.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[3-[5-(3,4-diethoxyphenyl)-1,2,4-oxadiazol-3-yl]phenyl]-N,N-dimethylmethanamine?
The IUPAC name of 1-[3-[5-(3,4-diethoxyphenyl)-1,2,4-oxadiazol-3-yl]phenyl]-N,N-dimethylmethanamine (CID 25110262) is 1-[3-[5-(3,4-diethoxyphenyl)-1,2,4-oxadiazol-3-yl]phenyl]-N,N-dimethylmethanamine.
What is the SMILES notation for 1-[3-[5-(3,4-diethoxyphenyl)-1,2,4-oxadiazol-3-yl]phenyl]-N,N-dimethylmethanamine?
The canonical SMILES for 1-[3-[5-(3,4-diethoxyphenyl)-1,2,4-oxadiazol-3-yl]phenyl]-N,N-dimethylmethanamine is CCOc1ccc(-c2nc(-c3cccc(CN(C)C)c3)no2)cc1OCC.
What is the InChIKey of 1-[3-[5-(3,4-diethoxyphenyl)-1,2,4-oxadiazol-3-yl]phenyl]-N,N-dimethylmethanamine?
The InChIKey is FSJKZZHGDXEUJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O3/c1-5-25-18-11-10-17(13-19(18)26-6-2)21-22-20(23-27-21)16-9-7-8-15(12-16)14-24(3)4/h7-13H,5-6,14H2,1-4H3.
What are the key properties of 1-[3-[5-(3,4-diethoxyphenyl)-1,2,4-oxadiazol-3-yl]phenyl]-N,N-dimethylmethanamine?
1-[3-[5-(3,4-diethoxyphenyl)-1,2,4-oxadiazol-3-yl]phenyl]-N,N-dimethylmethanamine has a molecular weight of 367.45 g/mol, XLogP of 4.26, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[5-(3,4-diethoxyphenyl)-1,2,4-oxadiazol-3-yl]phenyl]-N,N-dimethylmethanamine is sourced from PubChem (CID 25110262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).