2-[2,5-dimethyl-3-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrrol-1-yl]-1-(4-phenylpiperazin-1-yl)ethanone

C26H27N5O2 — CID 53155438

IUPAC2-[2,5-dimethyl-3-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrrol-1-yl]-1-(4-phenylpiperazin-1-yl)ethanone
SMILESCc1cc(-c2nnc(-c3ccccc3)o2)c(C)n1CC(=O)N1CCN(c2ccccc2)CC1
InChIInChI=1S/C26H27N5O2/c1-19-17-23(26-28-27-25(33-26)21-9-5-3-6-10-21)20(2)31(19)18-24(32)30-15-13-29(14-16-30)22-11-7-4-8-12-22/h3-12,17H,13-16,18H2,1-2H3
InChIKeyWOIATRZUOCHBGE-UHFFFAOYSA-N
MW441.54 g/mol
LogP4.17
Rot. Bonds5

About 2-[2,5-dimethyl-3-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrrol-1-yl]-1-(4-phenylpiperazin-1-yl)ethanone

2-[2,5-dimethyl-3-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrrol-1-yl]-1-(4-phenylpiperazin-1-yl)ethanone (PubChem CID 53155438) has the molecular formula C26H27N5O2 and a molecular weight of 441.54 g/mol. Its IUPAC name is 2-[2,5-dimethyl-3-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrrol-1-yl]-1-(4-phenylpiperazin-1-yl)ethanone.

Molecular Properties

Compound Name2-[2,5-dimethyl-3-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrrol-1-yl]-1-(4-phenylpiperazin-1-yl)ethanone
PubChem CID53155438
Molecular FormulaC26H27N5O2
Molecular Weight441.54 g/mol
Exact Mass441.22
IUPAC Name2-[2,5-dimethyl-3-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrrol-1-yl]-1-(4-phenylpiperazin-1-yl)ethanone
SMILESCc1cc(-c2nnc(-c3ccccc3)o2)c(C)n1CC(=O)N1CCN(c2ccccc2)CC1
InChIInChI=1S/C26H27N5O2/c1-19-17-23(26-28-27-25(33-26)21-9-5-3-6-10-21)20(2)31(19)18-24(32)30-15-13-29(14-16-30)22-11-7-4-8-12-22/h3-12,17H,13-16,18H2,1-2H3
InChIKeyWOIATRZUOCHBGE-UHFFFAOYSA-N
XLogP4.17
TPSA67.40 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.54
LogP ≤ 54.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-[2,5-dimethyl-3-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrrol-1-yl]-1-(3-methylpiperidin-1-yl)ethanone
CID 53155466
2-[3-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]-2,5-dimethylpyrrol-1-yl]-1-piperidin-1-ylethanone
CID 53155542
2-[3-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]-2,5-dimethylpyrrol-1-yl]-1-(4-propan-2-ylpiperazin-1-yl)ethanone
CID 53155538
3-(5-phenyl-1,3,4-oxadiazol-2-yl)-1-(4-phenylpiperazin-1-yl)propan-1-one
CID 51217103
2-[2,5-dimethyl-3-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrrol-1-yl]-N-(3-fluorophenyl)acetamide
CID 53155447
3-[2-[4-(3-methylphenyl)piperazin-1-yl]-2-oxoethyl]-5-phenyl-1,3,4-oxadiazol-2-one
CID 46448814
2-[3-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]-2,5-dimethylpyrrol-1-yl]-N-[(1S)-1-phenylethyl]acetamide
CID 95098283
3-[2-[4-(4-acetylphenyl)piperazin-1-yl]-2-oxoethyl]-5-phenyl-1,3,4-oxadiazol-2-one
CID 9303406
6-(5-methyl-3-phenylpyrazol-1-yl)-2-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]pyridazin-3-one
CID 11293981
2-[[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-1-(4-phenylpiperazin-1-yl)ethanone
CID 5106298
(5-methyl-2-phenyl-1,3-oxazol-4-yl)-(4-phenylpiperazin-1-yl)methanone
CID 9112756
1-(4-acetylpiperazin-1-yl)-3-(5-phenyl-1,3,4-oxadiazol-2-yl)propan-1-one
CID 51218726

Frequently Asked Questions

What is the IUPAC name of 2-[2,5-dimethyl-3-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrrol-1-yl]-1-(4-phenylpiperazin-1-yl)ethanone?
The IUPAC name of 2-[2,5-dimethyl-3-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrrol-1-yl]-1-(4-phenylpiperazin-1-yl)ethanone (CID 53155438) is 2-[2,5-dimethyl-3-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrrol-1-yl]-1-(4-phenylpiperazin-1-yl)ethanone.
What is the SMILES notation for 2-[2,5-dimethyl-3-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrrol-1-yl]-1-(4-phenylpiperazin-1-yl)ethanone?
The canonical SMILES for 2-[2,5-dimethyl-3-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrrol-1-yl]-1-(4-phenylpiperazin-1-yl)ethanone is Cc1cc(-c2nnc(-c3ccccc3)o2)c(C)n1CC(=O)N1CCN(c2ccccc2)CC1.
What is the InChIKey of 2-[2,5-dimethyl-3-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrrol-1-yl]-1-(4-phenylpiperazin-1-yl)ethanone?
The InChIKey is WOIATRZUOCHBGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27N5O2/c1-19-17-23(26-28-27-25(33-26)21-9-5-3-6-10-21)20(2)31(19)18-24(32)30-15-13-29(14-16-30)22-11-7-4-8-12-22/h3-12,17H,13-16,18H2,1-2H3.
What are the key properties of 2-[2,5-dimethyl-3-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrrol-1-yl]-1-(4-phenylpiperazin-1-yl)ethanone?
2-[2,5-dimethyl-3-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrrol-1-yl]-1-(4-phenylpiperazin-1-yl)ethanone has a molecular weight of 441.54 g/mol, XLogP of 4.17, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2,5-dimethyl-3-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrrol-1-yl]-1-(4-phenylpiperazin-1-yl)ethanone is sourced from PubChem (CID 53155438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).