2-[3,5-dimethyl-2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)pyrrol-1-yl]-1-[4-(2-methoxyphenyl)piperazin-1-yl]ethanone

C24H31N5O3 — CID 53154204

IUPAC2-[3,5-dimethyl-2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)pyrrol-1-yl]-1-[4-(2-methoxyphenyl)piperazin-1-yl]ethanone
SMILESCOc1ccccc1N1CCN(C(=O)Cn2c(C)cc(C)c2-c2nc(C(C)C)no2)CC1
InChIInChI=1S/C24H31N5O3/c1-16(2)23-25-24(32-26-23)22-17(3)14-18(4)29(22)15-21(30)28-12-10-27(11-13-28)19-8-6-7-9-20(19)31-5/h6-9,14,16H,10-13,15H2,1-5H3
InChIKeyZHUWMKZRSSRVGM-UHFFFAOYSA-N
MW437.54 g/mol
LogP3.64
Rot. Bonds6

About 2-[3,5-dimethyl-2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)pyrrol-1-yl]-1-[4-(2-methoxyphenyl)piperazin-1-yl]ethanone

2-[3,5-dimethyl-2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)pyrrol-1-yl]-1-[4-(2-methoxyphenyl)piperazin-1-yl]ethanone (PubChem CID 53154204) has the molecular formula C24H31N5O3 and a molecular weight of 437.54 g/mol. Its IUPAC name is 2-[3,5-dimethyl-2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)pyrrol-1-yl]-1-[4-(2-methoxyphenyl)piperazin-1-yl]ethanone.

Molecular Properties

Compound Name2-[3,5-dimethyl-2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)pyrrol-1-yl]-1-[4-(2-methoxyphenyl)piperazin-1-yl]ethanone
PubChem CID53154204
Molecular FormulaC24H31N5O3
Molecular Weight437.54 g/mol
Exact Mass437.24
IUPAC Name2-[3,5-dimethyl-2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)pyrrol-1-yl]-1-[4-(2-methoxyphenyl)piperazin-1-yl]ethanone
SMILESCOc1ccccc1N1CCN(C(=O)Cn2c(C)cc(C)c2-c2nc(C(C)C)no2)CC1
InChIInChI=1S/C24H31N5O3/c1-16(2)23-25-24(32-26-23)22-17(3)14-18(4)29(22)15-21(30)28-12-10-27(11-13-28)19-8-6-7-9-20(19)31-5/h6-9,14,16H,10-13,15H2,1-5H3
InChIKeyZHUWMKZRSSRVGM-UHFFFAOYSA-N
XLogP3.64
TPSA76.63 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.54
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

3-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]-2-methylquinazolin-4-one
CID 51046856
N-[1-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]-6-methyl-2-oxo-3-pyridinyl]acetamide
CID 87050342
2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-1-[4-(2-methoxyphenyl)piperazin-1-yl]ethanone
CID 9335378
1-[4-(2-methoxyphenyl)piperazin-1-yl]-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethanone
CID 35293166
4-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]-5-methyl-2-(3-methylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
CID 46269284
2-(2-chlorophenyl)-4-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
CID 50750642
(2R)-2-amino-1-[4-(2-methoxyphenyl)piperazin-1-yl]propan-1-one
CID 15549623
1-[4-(2-methoxyphenyl)piperazin-1-yl]-2-(2-methyl-6-propan-2-ylanilino)ethanone
CID 109004142
1-[4-(2-methoxyphenyl)piperazin-1-yl]-3-pyrrolidin-1-ylpropane-1,3-dione
CID 108941985
2-(butan-2-ylamino)-1-[4-(2-methoxyphenyl)piperazin-1-yl]ethanone
CID 108993359
6-(methoxymethyl)-3-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]-2-morpholin-4-ylpyrimidin-4-one
CID 51363351
1-[4-(2-methoxyphenyl)piperazin-1-yl]-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone
CID 41337436

Frequently Asked Questions

What is the IUPAC name of 2-[3,5-dimethyl-2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)pyrrol-1-yl]-1-[4-(2-methoxyphenyl)piperazin-1-yl]ethanone?
The IUPAC name of 2-[3,5-dimethyl-2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)pyrrol-1-yl]-1-[4-(2-methoxyphenyl)piperazin-1-yl]ethanone (CID 53154204) is 2-[3,5-dimethyl-2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)pyrrol-1-yl]-1-[4-(2-methoxyphenyl)piperazin-1-yl]ethanone.
What is the SMILES notation for 2-[3,5-dimethyl-2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)pyrrol-1-yl]-1-[4-(2-methoxyphenyl)piperazin-1-yl]ethanone?
The canonical SMILES for 2-[3,5-dimethyl-2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)pyrrol-1-yl]-1-[4-(2-methoxyphenyl)piperazin-1-yl]ethanone is COc1ccccc1N1CCN(C(=O)Cn2c(C)cc(C)c2-c2nc(C(C)C)no2)CC1.
What is the InChIKey of 2-[3,5-dimethyl-2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)pyrrol-1-yl]-1-[4-(2-methoxyphenyl)piperazin-1-yl]ethanone?
The InChIKey is ZHUWMKZRSSRVGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N5O3/c1-16(2)23-25-24(32-26-23)22-17(3)14-18(4)29(22)15-21(30)28-12-10-27(11-13-28)19-8-6-7-9-20(19)31-5/h6-9,14,16H,10-13,15H2,1-5H3.
What are the key properties of 2-[3,5-dimethyl-2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)pyrrol-1-yl]-1-[4-(2-methoxyphenyl)piperazin-1-yl]ethanone?
2-[3,5-dimethyl-2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)pyrrol-1-yl]-1-[4-(2-methoxyphenyl)piperazin-1-yl]ethanone has a molecular weight of 437.54 g/mol, XLogP of 3.64, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3,5-dimethyl-2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)pyrrol-1-yl]-1-[4-(2-methoxyphenyl)piperazin-1-yl]ethanone is sourced from PubChem (CID 53154204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).