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

C25H29N3O3 — CID 42628049

IUPAC1-[4-(2,5-dimethylphenyl)piperazin-1-yl]-3-[4-(4-methoxyphenyl)-1,3-oxazol-2-yl]propan-1-one
SMILESCOc1ccc(-c2coc(CCC(=O)N3CCN(c4cc(C)ccc4C)CC3)n2)cc1
InChIInChI=1S/C25H29N3O3/c1-18-4-5-19(2)23(16-18)27-12-14-28(15-13-27)25(29)11-10-24-26-22(17-31-24)20-6-8-21(30-3)9-7-20/h4-9,16-17H,10-15H2,1-3H3
InChIKeyUQQINCMHNCYWTB-UHFFFAOYSA-N
MW419.53 g/mol
LogP4.25
Rot. Bonds6

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

1-[4-(2,5-dimethylphenyl)piperazin-1-yl]-3-[4-(4-methoxyphenyl)-1,3-oxazol-2-yl]propan-1-one (PubChem CID 42628049) has the molecular formula C25H29N3O3 and a molecular weight of 419.53 g/mol. Its IUPAC name is 1-[4-(2,5-dimethylphenyl)piperazin-1-yl]-3-[4-(4-methoxyphenyl)-1,3-oxazol-2-yl]propan-1-one.

Molecular Properties

Compound Name1-[4-(2,5-dimethylphenyl)piperazin-1-yl]-3-[4-(4-methoxyphenyl)-1,3-oxazol-2-yl]propan-1-one
PubChem CID42628049
Molecular FormulaC25H29N3O3
Molecular Weight419.53 g/mol
Exact Mass419.22
IUPAC Name1-[4-(2,5-dimethylphenyl)piperazin-1-yl]-3-[4-(4-methoxyphenyl)-1,3-oxazol-2-yl]propan-1-one
SMILESCOc1ccc(-c2coc(CCC(=O)N3CCN(c4cc(C)ccc4C)CC3)n2)cc1
InChIInChI=1S/C25H29N3O3/c1-18-4-5-19(2)23(16-18)27-12-14-28(15-13-27)25(29)11-10-24-26-22(17-31-24)20-6-8-21(30-3)9-7-20/h4-9,16-17H,10-15H2,1-3H3
InChIKeyUQQINCMHNCYWTB-UHFFFAOYSA-N
XLogP4.25
TPSA58.81 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.53
LogP ≤ 54.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-[4-(2,5-dimethylphenyl)piperazin-1-yl]-3-[3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]propan-1-one
CID 42596901
2-[4-(4-methoxyphenyl)-1,3-oxazol-2-yl]-1-pyrrolidin-1-ylethanone
CID 22560806
1-[4-(2,5-dimethylphenyl)piperazin-1-yl]-3-[5-(5-methyl-1,2-oxazol-3-yl)-1,3,4-oxadiazol-2-yl]propan-1-one
CID 26334207
1-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-3-[3-(4-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]propan-1-one
CID 43056964
1-[4-(2,5-dimethylphenyl)piperazin-1-yl]-2-(4-methylphenyl)ethanone
CID 113075462
3-[5-(4-methoxyphenyl)-1,3-oxazol-2-yl]-1-[4-(4-methylphenyl)-1,4-diazepan-1-yl]propan-1-one
CID 86867799
1-(2,5-dimethylphenyl)-4-[4-(4-methoxyphenyl)piperazin-1-yl]butane-1,4-dione
CID 18104419
6-(4-bromophenyl)-2-[3-[4-(2,5-dimethylphenyl)piperazin-1-yl]-3-oxopropyl]pyridazin-3-one
CID 71825200
2-[[4-(2,5-dimethylphenyl)-5-methyl-1,2,4-triazol-3-yl]sulfanyl]-1-[4-(4-methoxyphenyl)-1,4-diazepan-1-yl]ethanone
CID 55917621
1-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]-3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]propan-1-one
CID 9077346
1-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-2-(4-methoxyphenyl)ethanone
CID 92672754
[2-(4-methoxyphenyl)-6-methylquinolin-4-yl]-[4-(2-methylphenyl)piperazin-1-yl]methanone
CID 3369416

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2,5-dimethylphenyl)piperazin-1-yl]-3-[4-(4-methoxyphenyl)-1,3-oxazol-2-yl]propan-1-one?
The IUPAC name of 1-[4-(2,5-dimethylphenyl)piperazin-1-yl]-3-[4-(4-methoxyphenyl)-1,3-oxazol-2-yl]propan-1-one (CID 42628049) is 1-[4-(2,5-dimethylphenyl)piperazin-1-yl]-3-[4-(4-methoxyphenyl)-1,3-oxazol-2-yl]propan-1-one.
What is the SMILES notation for 1-[4-(2,5-dimethylphenyl)piperazin-1-yl]-3-[4-(4-methoxyphenyl)-1,3-oxazol-2-yl]propan-1-one?
The canonical SMILES for 1-[4-(2,5-dimethylphenyl)piperazin-1-yl]-3-[4-(4-methoxyphenyl)-1,3-oxazol-2-yl]propan-1-one is COc1ccc(-c2coc(CCC(=O)N3CCN(c4cc(C)ccc4C)CC3)n2)cc1.
What is the InChIKey of 1-[4-(2,5-dimethylphenyl)piperazin-1-yl]-3-[4-(4-methoxyphenyl)-1,3-oxazol-2-yl]propan-1-one?
The InChIKey is UQQINCMHNCYWTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N3O3/c1-18-4-5-19(2)23(16-18)27-12-14-28(15-13-27)25(29)11-10-24-26-22(17-31-24)20-6-8-21(30-3)9-7-20/h4-9,16-17H,10-15H2,1-3H3.
What are the key properties of 1-[4-(2,5-dimethylphenyl)piperazin-1-yl]-3-[4-(4-methoxyphenyl)-1,3-oxazol-2-yl]propan-1-one?
1-[4-(2,5-dimethylphenyl)piperazin-1-yl]-3-[4-(4-methoxyphenyl)-1,3-oxazol-2-yl]propan-1-one has a molecular weight of 419.53 g/mol, XLogP of 4.25, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2,5-dimethylphenyl)piperazin-1-yl]-3-[4-(4-methoxyphenyl)-1,3-oxazol-2-yl]propan-1-one is sourced from PubChem (CID 42628049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).