3-(2,5-dimethoxyphenyl)-5-[(3R)-3-methyl-4-(3-methylphenyl)piperazin-1-yl]-1,2,4-oxadiazole

C22H26N4O3 — CID 98472380

IUPAC3-(2,5-dimethoxyphenyl)-5-[(3R)-3-methyl-4-(3-methylphenyl)piperazin-1-yl]-1,2,4-oxadiazole
SMILESCOc1ccc(OC)c(-c2noc(N3CCN(c4cccc(C)c4)[C@H](C)C3)n2)c1
InChIInChI=1S/C22H26N4O3/c1-15-6-5-7-17(12-15)26-11-10-25(14-16(26)2)22-23-21(24-29-22)19-13-18(27-3)8-9-20(19)28-4/h5-9,12-13,16H,10-11,14H2,1-4H3/t16-/m1/s1
InChIKeyWQSWFXUGJRUYCF-MRXNPFEDSA-N
MW394.48 g/mol
LogP3.78
Rot. Bonds5

About 3-(2,5-dimethoxyphenyl)-5-[(3R)-3-methyl-4-(3-methylphenyl)piperazin-1-yl]-1,2,4-oxadiazole

3-(2,5-dimethoxyphenyl)-5-[(3R)-3-methyl-4-(3-methylphenyl)piperazin-1-yl]-1,2,4-oxadiazole (PubChem CID 98472380) has the molecular formula C22H26N4O3 and a molecular weight of 394.48 g/mol. Its IUPAC name is 3-(2,5-dimethoxyphenyl)-5-[(3R)-3-methyl-4-(3-methylphenyl)piperazin-1-yl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-(2,5-dimethoxyphenyl)-5-[(3R)-3-methyl-4-(3-methylphenyl)piperazin-1-yl]-1,2,4-oxadiazole
PubChem CID98472380
Molecular FormulaC22H26N4O3
Molecular Weight394.48 g/mol
Exact Mass394.20
IUPAC Name3-(2,5-dimethoxyphenyl)-5-[(3R)-3-methyl-4-(3-methylphenyl)piperazin-1-yl]-1,2,4-oxadiazole
SMILESCOc1ccc(OC)c(-c2noc(N3CCN(c4cccc(C)c4)[C@H](C)C3)n2)c1
InChIInChI=1S/C22H26N4O3/c1-15-6-5-7-17(12-15)26-11-10-25(14-16(26)2)22-23-21(24-29-22)19-13-18(27-3)8-9-20(19)28-4/h5-9,12-13,16H,10-11,14H2,1-4H3/t16-/m1/s1
InChIKeyWQSWFXUGJRUYCF-MRXNPFEDSA-N
XLogP3.78
TPSA63.86 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.48
LogP ≤ 53.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-(2,5-dimethoxyphenyl)-5-[(3R)-3-methyl-4-(3-methylphenyl)piperazin-1-yl]-1,2,4-oxadiazole?
The IUPAC name of 3-(2,5-dimethoxyphenyl)-5-[(3R)-3-methyl-4-(3-methylphenyl)piperazin-1-yl]-1,2,4-oxadiazole (CID 98472380) is 3-(2,5-dimethoxyphenyl)-5-[(3R)-3-methyl-4-(3-methylphenyl)piperazin-1-yl]-1,2,4-oxadiazole.
What is the SMILES notation for 3-(2,5-dimethoxyphenyl)-5-[(3R)-3-methyl-4-(3-methylphenyl)piperazin-1-yl]-1,2,4-oxadiazole?
The canonical SMILES for 3-(2,5-dimethoxyphenyl)-5-[(3R)-3-methyl-4-(3-methylphenyl)piperazin-1-yl]-1,2,4-oxadiazole is COc1ccc(OC)c(-c2noc(N3CCN(c4cccc(C)c4)[C@H](C)C3)n2)c1.
What is the InChIKey of 3-(2,5-dimethoxyphenyl)-5-[(3R)-3-methyl-4-(3-methylphenyl)piperazin-1-yl]-1,2,4-oxadiazole?
The InChIKey is WQSWFXUGJRUYCF-MRXNPFEDSA-N. The full InChI is InChI=1S/C22H26N4O3/c1-15-6-5-7-17(12-15)26-11-10-25(14-16(26)2)22-23-21(24-29-22)19-13-18(27-3)8-9-20(19)28-4/h5-9,12-13,16H,10-11,14H2,1-4H3/t16-/m1/s1.
What are the key properties of 3-(2,5-dimethoxyphenyl)-5-[(3R)-3-methyl-4-(3-methylphenyl)piperazin-1-yl]-1,2,4-oxadiazole?
3-(2,5-dimethoxyphenyl)-5-[(3R)-3-methyl-4-(3-methylphenyl)piperazin-1-yl]-1,2,4-oxadiazole has a molecular weight of 394.48 g/mol, XLogP of 3.78, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,5-dimethoxyphenyl)-5-[(3R)-3-methyl-4-(3-methylphenyl)piperazin-1-yl]-1,2,4-oxadiazole is sourced from PubChem (CID 98472380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).