2-(8-azabicyclo[3.2.1]octan-3-yl)-1-[4-[(5-phenyl-1,3-oxazol-2-yl)methyl]piperazin-1-yl]ethanone

C23H30N4O2 — CID 119882175

IUPAC2-(8-azabicyclo[3.2.1]octan-3-yl)-1-[4-[(5-phenyl-1,3-oxazol-2-yl)methyl]piperazin-1-yl]ethanone
SMILESO=C(CC1CC2CCC(C1)N2)N1CCN(Cc2ncc(-c3ccccc3)o2)CC1
InChIInChI=1S/C23H30N4O2/c28-23(14-17-12-19-6-7-20(13-17)25-19)27-10-8-26(9-11-27)16-22-24-15-21(29-22)18-4-2-1-3-5-18/h1-5,15,17,19-20,25H,6-14,16H2
InChIKeyAVLLNJHUSFCULH-UHFFFAOYSA-N
MW394.52 g/mol
LogP2.91
Rot. Bonds5

About 2-(8-azabicyclo[3.2.1]octan-3-yl)-1-[4-[(5-phenyl-1,3-oxazol-2-yl)methyl]piperazin-1-yl]ethanone

2-(8-azabicyclo[3.2.1]octan-3-yl)-1-[4-[(5-phenyl-1,3-oxazol-2-yl)methyl]piperazin-1-yl]ethanone (PubChem CID 119882175) has the molecular formula C23H30N4O2 and a molecular weight of 394.52 g/mol. Its IUPAC name is 2-(8-azabicyclo[3.2.1]octan-3-yl)-1-[4-[(5-phenyl-1,3-oxazol-2-yl)methyl]piperazin-1-yl]ethanone.

Molecular Properties

Compound Name2-(8-azabicyclo[3.2.1]octan-3-yl)-1-[4-[(5-phenyl-1,3-oxazol-2-yl)methyl]piperazin-1-yl]ethanone
PubChem CID119882175
Molecular FormulaC23H30N4O2
Molecular Weight394.52 g/mol
Exact Mass394.24
IUPAC Name2-(8-azabicyclo[3.2.1]octan-3-yl)-1-[4-[(5-phenyl-1,3-oxazol-2-yl)methyl]piperazin-1-yl]ethanone
SMILESO=C(CC1CC2CCC(C1)N2)N1CCN(Cc2ncc(-c3ccccc3)o2)CC1
InChIInChI=1S/C23H30N4O2/c28-23(14-17-12-19-6-7-20(13-17)25-19)27-10-8-26(9-11-27)16-22-24-15-21(29-22)18-4-2-1-3-5-18/h1-5,15,17,19-20,25H,6-14,16H2
InChIKeyAVLLNJHUSFCULH-UHFFFAOYSA-N
XLogP2.91
TPSA61.61 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.52
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(8-azabicyclo[3.2.1]octan-3-yl)-1-(4-benzylpiperazin-1-yl)ethanone;dihydrochloride
CID 119826752
(4-hydroxypyrrolidin-2-yl)-[4-[(5-phenyl-1,3-oxazol-2-yl)methyl]piperazin-1-yl]methanone;dihydrochloride
CID 119882164
(3-methyloxetan-3-yl)-[4-[(5-phenyl-1,3-oxazol-2-yl)methyl]piperazin-1-yl]methanone
CID 127810988
2-(3,9-diazabicyclo[4.2.1]nonan-3-ylmethyl)-5-phenyl-1,3-oxazole;dihydrochloride
CID 119927342
2-(2-methoxyethylamino)-1-[4-[(5-phenyl-1,3-oxazol-2-yl)methyl]piperazin-1-yl]ethanone;dihydrochloride
CID 119882198
4-hydroxy-1-[(5-phenyl-1,3-oxazol-2-yl)methyl]piperidine-4-carboxylic acid
CID 167922914
2-(8-azabicyclo[3.2.1]octan-3-yl)-1-(4-ethylpiperazin-1-yl)ethanone
CID 79607332
2-amino-3-phenyl-1-[4-[(5-phenyl-1,3-oxazol-2-yl)methyl]piperazin-1-yl]propan-1-one;dihydrochloride
CID 119882152
2-(8-azabicyclo[3.2.1]octan-3-yl)-1-[4-(1,3-benzoxazol-2-yl)piperazin-1-yl]ethanone;dihydrochloride
CID 119879851
2-[1-[4-(5-phenyl-1,3-oxazol-2-yl)butanoyl]piperidin-4-yl]acetic acid
CID 119178434
2-(8-azabicyclo[3.2.1]octan-3-yl)-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone;dihydrochloride
CID 119827979
2-(8-azabicyclo[3.2.1]octan-3-yl)-1-[4-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]ethanone;dihydrochloride
CID 119857669

Frequently Asked Questions

What is the IUPAC name of 2-(8-azabicyclo[3.2.1]octan-3-yl)-1-[4-[(5-phenyl-1,3-oxazol-2-yl)methyl]piperazin-1-yl]ethanone?
The IUPAC name of 2-(8-azabicyclo[3.2.1]octan-3-yl)-1-[4-[(5-phenyl-1,3-oxazol-2-yl)methyl]piperazin-1-yl]ethanone (CID 119882175) is 2-(8-azabicyclo[3.2.1]octan-3-yl)-1-[4-[(5-phenyl-1,3-oxazol-2-yl)methyl]piperazin-1-yl]ethanone.
What is the SMILES notation for 2-(8-azabicyclo[3.2.1]octan-3-yl)-1-[4-[(5-phenyl-1,3-oxazol-2-yl)methyl]piperazin-1-yl]ethanone?
The canonical SMILES for 2-(8-azabicyclo[3.2.1]octan-3-yl)-1-[4-[(5-phenyl-1,3-oxazol-2-yl)methyl]piperazin-1-yl]ethanone is O=C(CC1CC2CCC(C1)N2)N1CCN(Cc2ncc(-c3ccccc3)o2)CC1.
What is the InChIKey of 2-(8-azabicyclo[3.2.1]octan-3-yl)-1-[4-[(5-phenyl-1,3-oxazol-2-yl)methyl]piperazin-1-yl]ethanone?
The InChIKey is AVLLNJHUSFCULH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N4O2/c28-23(14-17-12-19-6-7-20(13-17)25-19)27-10-8-26(9-11-27)16-22-24-15-21(29-22)18-4-2-1-3-5-18/h1-5,15,17,19-20,25H,6-14,16H2.
What are the key properties of 2-(8-azabicyclo[3.2.1]octan-3-yl)-1-[4-[(5-phenyl-1,3-oxazol-2-yl)methyl]piperazin-1-yl]ethanone?
2-(8-azabicyclo[3.2.1]octan-3-yl)-1-[4-[(5-phenyl-1,3-oxazol-2-yl)methyl]piperazin-1-yl]ethanone has a molecular weight of 394.52 g/mol, XLogP of 2.91, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(8-azabicyclo[3.2.1]octan-3-yl)-1-[4-[(5-phenyl-1,3-oxazol-2-yl)methyl]piperazin-1-yl]ethanone is sourced from PubChem (CID 119882175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).