1-[4-(5-phenyl-1,2,4-oxadiazol-3-yl)piperazin-1-yl]-2-pyrrolidin-1-ylethanone

C18H23N5O2 — CID 133482892

IUPAC1-[4-(5-phenyl-1,2,4-oxadiazol-3-yl)piperazin-1-yl]-2-pyrrolidin-1-ylethanone
SMILESO=C(CN1CCCC1)N1CCN(c2noc(-c3ccccc3)n2)CC1
InChIInChI=1S/C18H23N5O2/c24-16(14-21-8-4-5-9-21)22-10-12-23(13-11-22)18-19-17(25-20-18)15-6-2-1-3-7-15/h1-3,6-7H,4-5,8-14H2
InChIKeyNRNDABALQFYTHI-UHFFFAOYSA-N
MW341.41 g/mol
LogP1.48
Rot. Bonds4

About 1-[4-(5-phenyl-1,2,4-oxadiazol-3-yl)piperazin-1-yl]-2-pyrrolidin-1-ylethanone

1-[4-(5-phenyl-1,2,4-oxadiazol-3-yl)piperazin-1-yl]-2-pyrrolidin-1-ylethanone (PubChem CID 133482892) has the molecular formula C18H23N5O2 and a molecular weight of 341.41 g/mol. Its IUPAC name is 1-[4-(5-phenyl-1,2,4-oxadiazol-3-yl)piperazin-1-yl]-2-pyrrolidin-1-ylethanone.

Molecular Properties

Compound Name1-[4-(5-phenyl-1,2,4-oxadiazol-3-yl)piperazin-1-yl]-2-pyrrolidin-1-ylethanone
PubChem CID133482892
Molecular FormulaC18H23N5O2
Molecular Weight341.41 g/mol
Exact Mass341.19
IUPAC Name1-[4-(5-phenyl-1,2,4-oxadiazol-3-yl)piperazin-1-yl]-2-pyrrolidin-1-ylethanone
SMILESO=C(CN1CCCC1)N1CCN(c2noc(-c3ccccc3)n2)CC1
InChIInChI=1S/C18H23N5O2/c24-16(14-21-8-4-5-9-21)22-10-12-23(13-11-22)18-19-17(25-20-18)15-6-2-1-3-7-15/h1-3,6-7H,4-5,8-14H2
InChIKeyNRNDABALQFYTHI-UHFFFAOYSA-N
XLogP1.48
TPSA65.71 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.41
LogP ≤ 51.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

[1-(5-phenyl-1,2,4-oxadiazol-3-yl)piperidin-4-yl]-pyrrolidin-1-ylmethanone
CID 133481699
N-cyclohexyl-N-methyl-2-[4-(5-phenyl-1,2,4-oxadiazol-3-yl)piperazin-1-yl]acetamide
CID 133482888
(4-fluorophenyl)-[4-(5-phenyl-1,2,4-oxadiazol-3-yl)-1,4-diazepan-1-yl]methanone
CID 133481811
1-(4-pyrimidin-2-ylpiperazin-1-yl)-2-pyrrolidin-1-ylethanone
CID 110688001
1-adamantyl-[4-(5-phenyl-1,2,4-oxadiazol-3-yl)piperazin-1-yl]methanone
CID 133481703
[(3R,4R)-1-(5-phenyl-1,2,4-oxadiazol-3-yl)-4-(pyrrolidin-1-ylmethyl)pyrrolidin-3-yl]methanol
CID 70726029
2-morpholin-4-yl-1-[4-[(1S)-1-(5-phenyl-1,2,4-oxadiazol-3-yl)ethyl]piperazin-1-yl]ethanone
CID 100699939
3-[4-(3-methylbutyl)piperazin-1-yl]-5-phenyl-1,2,4-oxadiazole
CID 133482061
1-[4-(4-phenylphthalazin-1-yl)piperazin-1-yl]-2-piperidin-1-ylethanone
CID 2952093
2-(3-pyrrolidin-1-yl-1,2,4-oxadiazol-5-yl)benzoic acid
CID 116808545
(6-methoxy-3-pyridinyl)-[4-(5-phenyl-1,2,4-oxadiazol-3-yl)-1,4-diazepan-1-yl]methanone
CID 138382647
2-piperidin-1-yl-1-(4-quinolin-2-ylpiperazin-1-yl)ethanone
CID 567081

Frequently Asked Questions

What is the IUPAC name of 1-[4-(5-phenyl-1,2,4-oxadiazol-3-yl)piperazin-1-yl]-2-pyrrolidin-1-ylethanone?
The IUPAC name of 1-[4-(5-phenyl-1,2,4-oxadiazol-3-yl)piperazin-1-yl]-2-pyrrolidin-1-ylethanone (CID 133482892) is 1-[4-(5-phenyl-1,2,4-oxadiazol-3-yl)piperazin-1-yl]-2-pyrrolidin-1-ylethanone.
What is the SMILES notation for 1-[4-(5-phenyl-1,2,4-oxadiazol-3-yl)piperazin-1-yl]-2-pyrrolidin-1-ylethanone?
The canonical SMILES for 1-[4-(5-phenyl-1,2,4-oxadiazol-3-yl)piperazin-1-yl]-2-pyrrolidin-1-ylethanone is O=C(CN1CCCC1)N1CCN(c2noc(-c3ccccc3)n2)CC1.
What is the InChIKey of 1-[4-(5-phenyl-1,2,4-oxadiazol-3-yl)piperazin-1-yl]-2-pyrrolidin-1-ylethanone?
The InChIKey is NRNDABALQFYTHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N5O2/c24-16(14-21-8-4-5-9-21)22-10-12-23(13-11-22)18-19-17(25-20-18)15-6-2-1-3-7-15/h1-3,6-7H,4-5,8-14H2.
What are the key properties of 1-[4-(5-phenyl-1,2,4-oxadiazol-3-yl)piperazin-1-yl]-2-pyrrolidin-1-ylethanone?
1-[4-(5-phenyl-1,2,4-oxadiazol-3-yl)piperazin-1-yl]-2-pyrrolidin-1-ylethanone has a molecular weight of 341.41 g/mol, XLogP of 1.48, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(5-phenyl-1,2,4-oxadiazol-3-yl)piperazin-1-yl]-2-pyrrolidin-1-ylethanone is sourced from PubChem (CID 133482892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).