1-adamantyl-[4-(5-phenyl-1,2,4-oxadiazol-3-yl)piperazin-1-yl]methanone

C23H28N4O2 — CID 133481703

IUPAC1-adamantyl-[4-(5-phenyl-1,2,4-oxadiazol-3-yl)piperazin-1-yl]methanone
SMILESO=C(N1CCN(c2noc(-c3ccccc3)n2)CC1)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C23H28N4O2/c28-21(23-13-16-10-17(14-23)12-18(11-16)15-23)26-6-8-27(9-7-26)22-24-20(29-25-22)19-4-2-1-3-5-19/h1-5,16-18H,6-15H2
InChIKeyAPLIAPWOTVTZHA-UHFFFAOYSA-N
MW392.50 g/mol
LogP3.60
Rot. Bonds3

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

1-adamantyl-[4-(5-phenyl-1,2,4-oxadiazol-3-yl)piperazin-1-yl]methanone (PubChem CID 133481703) has the molecular formula C23H28N4O2 and a molecular weight of 392.50 g/mol. Its IUPAC name is 1-adamantyl-[4-(5-phenyl-1,2,4-oxadiazol-3-yl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name1-adamantyl-[4-(5-phenyl-1,2,4-oxadiazol-3-yl)piperazin-1-yl]methanone
PubChem CID133481703
Molecular FormulaC23H28N4O2
Molecular Weight392.50 g/mol
Exact Mass392.22
IUPAC Name1-adamantyl-[4-(5-phenyl-1,2,4-oxadiazol-3-yl)piperazin-1-yl]methanone
SMILESO=C(N1CCN(c2noc(-c3ccccc3)n2)CC1)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C23H28N4O2/c28-21(23-13-16-10-17(14-23)12-18(11-16)15-23)26-6-8-27(9-7-26)22-24-20(29-25-22)19-4-2-1-3-5-19/h1-5,16-18H,6-15H2
InChIKeyAPLIAPWOTVTZHA-UHFFFAOYSA-N
XLogP3.60
TPSA62.47 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.50
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-[4-(5-phenyl-1,2,4-oxadiazol-3-yl)piperazin-1-yl]-2-pyrrolidin-1-ylethanone
CID 133482892
[1-(5-phenyl-1,2,4-oxadiazol-3-yl)piperidin-4-yl]-pyrrolidin-1-ylmethanone
CID 133481699
(4-fluorophenyl)-[4-(5-phenyl-1,2,4-oxadiazol-3-yl)-1,4-diazepan-1-yl]methanone
CID 133481811
3-[4-(2,6-difluorophenyl)sulfonylpiperazin-1-yl]-5-phenyl-1,2,4-oxadiazole
CID 133481509
(3aS,5R,6R,7aR)-2-(5-phenyl-1,2,4-oxadiazol-3-yl)-1,3,3a,4,5,6,7,7a-octahydroisoindole-5,6-diol
CID 133112625
phenyl 4-(adamantane-1-carbonyl)piperazine-1-carboxylate
CID 51294878
1-adamantyl-(4-phenylpiperidin-1-yl)methanone
CID 2921328
1-adamantyl-[4-(4,8-dimethylquinolin-2-yl)piperazin-1-yl]methanone
CID 108731208
[4-(adamantane-1-carbonyl)piperazin-1-yl]-[1-(4-bromophenyl)cyclopropyl]methanone
CID 55520605
(3R,4R)-3-benzyl-4-hydroxy-1-(5-phenyl-1,2,4-oxadiazol-3-yl)piperidine-3-carboxylic acid
CID 163309435
(6-methoxy-3-pyridinyl)-[4-(5-phenyl-1,2,4-oxadiazol-3-yl)-1,4-diazepan-1-yl]methanone
CID 138382647
1-adamantyl-[4-[1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]methanone
CID 78833873

Frequently Asked Questions

What is the IUPAC name of 1-adamantyl-[4-(5-phenyl-1,2,4-oxadiazol-3-yl)piperazin-1-yl]methanone?
The IUPAC name of 1-adamantyl-[4-(5-phenyl-1,2,4-oxadiazol-3-yl)piperazin-1-yl]methanone (CID 133481703) is 1-adamantyl-[4-(5-phenyl-1,2,4-oxadiazol-3-yl)piperazin-1-yl]methanone.
What is the SMILES notation for 1-adamantyl-[4-(5-phenyl-1,2,4-oxadiazol-3-yl)piperazin-1-yl]methanone?
The canonical SMILES for 1-adamantyl-[4-(5-phenyl-1,2,4-oxadiazol-3-yl)piperazin-1-yl]methanone is O=C(N1CCN(c2noc(-c3ccccc3)n2)CC1)C12CC3CC(CC(C3)C1)C2.
What is the InChIKey of 1-adamantyl-[4-(5-phenyl-1,2,4-oxadiazol-3-yl)piperazin-1-yl]methanone?
The InChIKey is APLIAPWOTVTZHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N4O2/c28-21(23-13-16-10-17(14-23)12-18(11-16)15-23)26-6-8-27(9-7-26)22-24-20(29-25-22)19-4-2-1-3-5-19/h1-5,16-18H,6-15H2.
What are the key properties of 1-adamantyl-[4-(5-phenyl-1,2,4-oxadiazol-3-yl)piperazin-1-yl]methanone?
1-adamantyl-[4-(5-phenyl-1,2,4-oxadiazol-3-yl)piperazin-1-yl]methanone has a molecular weight of 392.50 g/mol, XLogP of 3.60, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-adamantyl-[4-(5-phenyl-1,2,4-oxadiazol-3-yl)piperazin-1-yl]methanone is sourced from PubChem (CID 133481703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).