5-[5-(4-ethoxyphenyl)pyrazolidin-3-yl]-3-(3,4,5-trimethoxyphenyl)-1,2,4-oxadiazole

C22H26N4O5 — CID 73221593

IUPAC5-[5-(4-ethoxyphenyl)pyrazolidin-3-yl]-3-(3,4,5-trimethoxyphenyl)-1,2,4-oxadiazole
SMILESCCOc1ccc(C2CC(c3nc(-c4cc(OC)c(OC)c(OC)c4)no3)NN2)cc1
InChIInChI=1S/C22H26N4O5/c1-5-30-15-8-6-13(7-9-15)16-12-17(25-24-16)22-23-21(26-31-22)14-10-18(27-2)20(29-4)19(11-14)28-3/h6-11,16-17,24-25H,5,12H2,1-4H3
InChIKeyHDUJHLNFOZJKJG-UHFFFAOYSA-N
MW426.47 g/mol
LogP3.44
Rot. Bonds8

About 5-[5-(4-ethoxyphenyl)pyrazolidin-3-yl]-3-(3,4,5-trimethoxyphenyl)-1,2,4-oxadiazole

5-[5-(4-ethoxyphenyl)pyrazolidin-3-yl]-3-(3,4,5-trimethoxyphenyl)-1,2,4-oxadiazole (PubChem CID 73221593) has the molecular formula C22H26N4O5 and a molecular weight of 426.47 g/mol. Its IUPAC name is 5-[5-(4-ethoxyphenyl)pyrazolidin-3-yl]-3-(3,4,5-trimethoxyphenyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-[5-(4-ethoxyphenyl)pyrazolidin-3-yl]-3-(3,4,5-trimethoxyphenyl)-1,2,4-oxadiazole
PubChem CID73221593
Molecular FormulaC22H26N4O5
Molecular Weight426.47 g/mol
Exact Mass426.19
IUPAC Name5-[5-(4-ethoxyphenyl)pyrazolidin-3-yl]-3-(3,4,5-trimethoxyphenyl)-1,2,4-oxadiazole
SMILESCCOc1ccc(C2CC(c3nc(-c4cc(OC)c(OC)c(OC)c4)no3)NN2)cc1
InChIInChI=1S/C22H26N4O5/c1-5-30-15-8-6-13(7-9-15)16-12-17(25-24-16)22-23-21(26-31-22)14-10-18(27-2)20(29-4)19(11-14)28-3/h6-11,16-17,24-25H,5,12H2,1-4H3
InChIKeyHDUJHLNFOZJKJG-UHFFFAOYSA-N
XLogP3.44
TPSA99.90 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.47
LogP ≤ 53.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Related Compounds

5-[5-(2,4-dimethoxyphenyl)pyrazolidin-3-yl]-3-(4-methylphenyl)-1,2,4-oxadiazole
CID 73452956
3-(3,4-dimethoxyphenyl)-5-[5-(2-methylphenyl)pyrazolidin-3-yl]-1,2,4-oxadiazole
CID 75286521
5-cyclohexyl-3-(3,4,5-trimethoxyphenyl)-1,2,4-oxadiazole
CID 847024
3-(3,5-dimethoxyphenyl)-5-[5-(2,5-dimethylphenyl)pyrazolidin-3-yl]-1,2,4-oxadiazole
CID 74526727
2-(4-ethoxyphenyl)-3-(3,4,5-trimethoxyphenyl)aziridine
CID 175257882
(5S,7S)-5-(4-ethoxyphenyl)-7-(3,4,5-trimethoxyphenyl)-4,5,6,7-tetrahydrotetrazolo[1,5-a]pyrimidine
CID 136667698
3-(3-ethoxyphenyl)-5-(4-methoxypyrrolidin-2-yl)-1,2,4-oxadiazole
CID 43519282
3-(4-bromophenyl)-5-[5-(4-propan-2-ylphenyl)pyrazolidin-3-yl]-1,2,4-oxadiazole
CID 75286461
3-(3-methylphenyl)-5-[5-(4-propan-2-ylphenyl)pyrazolidin-3-yl]-1,2,4-oxadiazole
CID 75286454
[(3R)-3-[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-(4-ethoxyphenyl)methanone
CID 1456451
[(3S)-3-[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-(4-ethoxyphenyl)methanone
CID 1456452
5-[(2R,3R)-2-propan-2-yloxolan-3-yl]-3-(3,4,5-trimethoxyphenyl)-1,2,4-oxadiazole
CID 124841769

Frequently Asked Questions

What is the IUPAC name of 5-[5-(4-ethoxyphenyl)pyrazolidin-3-yl]-3-(3,4,5-trimethoxyphenyl)-1,2,4-oxadiazole?
The IUPAC name of 5-[5-(4-ethoxyphenyl)pyrazolidin-3-yl]-3-(3,4,5-trimethoxyphenyl)-1,2,4-oxadiazole (CID 73221593) is 5-[5-(4-ethoxyphenyl)pyrazolidin-3-yl]-3-(3,4,5-trimethoxyphenyl)-1,2,4-oxadiazole.
What is the SMILES notation for 5-[5-(4-ethoxyphenyl)pyrazolidin-3-yl]-3-(3,4,5-trimethoxyphenyl)-1,2,4-oxadiazole?
The canonical SMILES for 5-[5-(4-ethoxyphenyl)pyrazolidin-3-yl]-3-(3,4,5-trimethoxyphenyl)-1,2,4-oxadiazole is CCOc1ccc(C2CC(c3nc(-c4cc(OC)c(OC)c(OC)c4)no3)NN2)cc1.
What is the InChIKey of 5-[5-(4-ethoxyphenyl)pyrazolidin-3-yl]-3-(3,4,5-trimethoxyphenyl)-1,2,4-oxadiazole?
The InChIKey is HDUJHLNFOZJKJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4O5/c1-5-30-15-8-6-13(7-9-15)16-12-17(25-24-16)22-23-21(26-31-22)14-10-18(27-2)20(29-4)19(11-14)28-3/h6-11,16-17,24-25H,5,12H2,1-4H3.
What are the key properties of 5-[5-(4-ethoxyphenyl)pyrazolidin-3-yl]-3-(3,4,5-trimethoxyphenyl)-1,2,4-oxadiazole?
5-[5-(4-ethoxyphenyl)pyrazolidin-3-yl]-3-(3,4,5-trimethoxyphenyl)-1,2,4-oxadiazole has a molecular weight of 426.47 g/mol, XLogP of 3.44, 8 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-(4-ethoxyphenyl)pyrazolidin-3-yl]-3-(3,4,5-trimethoxyphenyl)-1,2,4-oxadiazole is sourced from PubChem (CID 73221593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).