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

C22H26N4O2 — CID 53155466

IUPAC2-[2,5-dimethyl-3-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrrol-1-yl]-1-(3-methylpiperidin-1-yl)ethanone
SMILESCc1cc(-c2nnc(-c3ccccc3)o2)c(C)n1CC(=O)N1CCCC(C)C1
InChIInChI=1S/C22H26N4O2/c1-15-8-7-11-25(13-15)20(27)14-26-16(2)12-19(17(26)3)22-24-23-21(28-22)18-9-5-4-6-10-18/h4-6,9-10,12,15H,7-8,11,13-14H2,1-3H3
InChIKeyLIFDUAMVRFGQJG-UHFFFAOYSA-N
MW378.48 g/mol
LogP4.08
Rot. Bonds4

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

2-[2,5-dimethyl-3-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrrol-1-yl]-1-(3-methylpiperidin-1-yl)ethanone (PubChem CID 53155466) has the molecular formula C22H26N4O2 and a molecular weight of 378.48 g/mol. Its IUPAC name is 2-[2,5-dimethyl-3-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrrol-1-yl]-1-(3-methylpiperidin-1-yl)ethanone.

Molecular Properties

Compound Name2-[2,5-dimethyl-3-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrrol-1-yl]-1-(3-methylpiperidin-1-yl)ethanone
PubChem CID53155466
Molecular FormulaC22H26N4O2
Molecular Weight378.48 g/mol
Exact Mass378.21
IUPAC Name2-[2,5-dimethyl-3-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrrol-1-yl]-1-(3-methylpiperidin-1-yl)ethanone
SMILESCc1cc(-c2nnc(-c3ccccc3)o2)c(C)n1CC(=O)N1CCCC(C)C1
InChIInChI=1S/C22H26N4O2/c1-15-8-7-11-25(13-15)20(27)14-26-16(2)12-19(17(26)3)22-24-23-21(28-22)18-9-5-4-6-10-18/h4-6,9-10,12,15H,7-8,11,13-14H2,1-3H3
InChIKeyLIFDUAMVRFGQJG-UHFFFAOYSA-N
XLogP4.08
TPSA64.16 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.48
LogP ≤ 54.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[2,5-dimethyl-3-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrrol-1-yl]-1-(4-phenylpiperazin-1-yl)ethanone
CID 53155438
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
1-[4-(3-methylpiperidine-1-carbonyl)piperidin-1-yl]-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]ethanone
CID 112762855
N-cyclopentyl-2-[3-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]-2,5-dimethylpyrrol-1-yl]acetamide
CID 53155523
2-[2,5-dimethyl-3-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrrol-1-yl]-N-(3-fluorophenyl)acetamide
CID 53155447
ethyl 2,4-dimethyl-1-[2-(3-methylpiperidin-1-yl)-2-oxoethyl]-5-phenylpyrrole-3-carboxylate
CID 20878936
2-[3-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]-2,5-dimethylpyrrol-1-yl]-N-[(1S)-1-phenylethyl]acetamide
CID 95098283
3-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]-1-(3-methylpiperidin-1-yl)propan-1-one
CID 110334636
2-[(4,5-diphenyl-1,2,4-triazol-3-yl)sulfanyl]-1-[(3S)-3-methylpiperidin-1-yl]ethanone
CID 7841263
1-(3-methylpiperidin-1-yl)-3-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)propan-1-one
CID 110330418
1-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]ethanone
CID 866841

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-(3-methylpiperidin-1-yl)ethanone?
The IUPAC name of 2-[2,5-dimethyl-3-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrrol-1-yl]-1-(3-methylpiperidin-1-yl)ethanone (CID 53155466) is 2-[2,5-dimethyl-3-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrrol-1-yl]-1-(3-methylpiperidin-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-(3-methylpiperidin-1-yl)ethanone?
The canonical SMILES for 2-[2,5-dimethyl-3-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrrol-1-yl]-1-(3-methylpiperidin-1-yl)ethanone is Cc1cc(-c2nnc(-c3ccccc3)o2)c(C)n1CC(=O)N1CCCC(C)C1.
What is the InChIKey of 2-[2,5-dimethyl-3-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrrol-1-yl]-1-(3-methylpiperidin-1-yl)ethanone?
The InChIKey is LIFDUAMVRFGQJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4O2/c1-15-8-7-11-25(13-15)20(27)14-26-16(2)12-19(17(26)3)22-24-23-21(28-22)18-9-5-4-6-10-18/h4-6,9-10,12,15H,7-8,11,13-14H2,1-3H3.
What are the key properties of 2-[2,5-dimethyl-3-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrrol-1-yl]-1-(3-methylpiperidin-1-yl)ethanone?
2-[2,5-dimethyl-3-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrrol-1-yl]-1-(3-methylpiperidin-1-yl)ethanone has a molecular weight of 378.48 g/mol, XLogP of 4.08, 4 rotatable bonds, 0 hydrogen bond donors, and 5 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-(3-methylpiperidin-1-yl)ethanone is sourced from PubChem (CID 53155466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).