1-[4-(2,5-dimethylphenyl)piperazin-1-yl]-3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]propan-1-one

C24H28N4O3 — CID 3241668

IUPAC1-[4-(2,5-dimethylphenyl)piperazin-1-yl]-3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]propan-1-one
SMILESCOc1ccc(-c2noc(CCC(=O)N3CCN(c4cc(C)ccc4C)CC3)n2)cc1
InChIInChI=1S/C24H28N4O3/c1-17-4-5-18(2)21(16-17)27-12-14-28(15-13-27)23(29)11-10-22-25-24(26-31-22)19-6-8-20(30-3)9-7-19/h4-9,16H,10-15H2,1-3H3
InChIKeyCDPZQJOQECZZJU-UHFFFAOYSA-N
MW420.51 g/mol
LogP3.64
Rot. Bonds6

About 1-[4-(2,5-dimethylphenyl)piperazin-1-yl]-3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]propan-1-one

1-[4-(2,5-dimethylphenyl)piperazin-1-yl]-3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]propan-1-one (PubChem CID 3241668) has the molecular formula C24H28N4O3 and a molecular weight of 420.51 g/mol. Its IUPAC name is 1-[4-(2,5-dimethylphenyl)piperazin-1-yl]-3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]propan-1-one.

Molecular Properties

Compound Name1-[4-(2,5-dimethylphenyl)piperazin-1-yl]-3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]propan-1-one
PubChem CID3241668
Molecular FormulaC24H28N4O3
Molecular Weight420.51 g/mol
Exact Mass420.22
IUPAC Name1-[4-(2,5-dimethylphenyl)piperazin-1-yl]-3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]propan-1-one
SMILESCOc1ccc(-c2noc(CCC(=O)N3CCN(c4cc(C)ccc4C)CC3)n2)cc1
InChIInChI=1S/C24H28N4O3/c1-17-4-5-18(2)21(16-17)27-12-14-28(15-13-27)23(29)11-10-22-25-24(26-31-22)19-6-8-20(30-3)9-7-19/h4-9,16H,10-15H2,1-3H3
InChIKeyCDPZQJOQECZZJU-UHFFFAOYSA-N
XLogP3.64
TPSA71.70 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.51
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(2,5-dimethylphenyl)piperazin-1-yl]-3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]propan-1-one?
The IUPAC name of 1-[4-(2,5-dimethylphenyl)piperazin-1-yl]-3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]propan-1-one (CID 3241668) is 1-[4-(2,5-dimethylphenyl)piperazin-1-yl]-3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]propan-1-one.
What is the SMILES notation for 1-[4-(2,5-dimethylphenyl)piperazin-1-yl]-3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]propan-1-one?
The canonical SMILES for 1-[4-(2,5-dimethylphenyl)piperazin-1-yl]-3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]propan-1-one is COc1ccc(-c2noc(CCC(=O)N3CCN(c4cc(C)ccc4C)CC3)n2)cc1.
What is the InChIKey of 1-[4-(2,5-dimethylphenyl)piperazin-1-yl]-3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]propan-1-one?
The InChIKey is CDPZQJOQECZZJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N4O3/c1-17-4-5-18(2)21(16-17)27-12-14-28(15-13-27)23(29)11-10-22-25-24(26-31-22)19-6-8-20(30-3)9-7-19/h4-9,16H,10-15H2,1-3H3.
What are the key properties of 1-[4-(2,5-dimethylphenyl)piperazin-1-yl]-3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]propan-1-one?
1-[4-(2,5-dimethylphenyl)piperazin-1-yl]-3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]propan-1-one has a molecular weight of 420.51 g/mol, XLogP of 3.64, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2,5-dimethylphenyl)piperazin-1-yl]-3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]propan-1-one is sourced from PubChem (CID 3241668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).