2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl]acetamide;hydrochloride

C17H29ClN4O2 — CID 119817323

IUPAC2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl]acetamide;hydrochloride
SMILESCC(NC(=O)CC1CC2CCC(C1)N2)c1nc(C(C)(C)C)no1.Cl
InChIInChI=1S/C17H28N4O2.ClH/c1-10(15-20-16(21-23-15)17(2,3)4)18-14(22)9-11-7-12-5-6-13(8-11)19-12;/h10-13,19H,5-9H2,1-4H3,(H,18,22);1H
InChIKeyITUUHVJTPHPFQN-UHFFFAOYSA-N
MW356.90 g/mol
LogP2.89
Rot. Bonds4

About 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl]acetamide;hydrochloride

2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl]acetamide;hydrochloride (PubChem CID 119817323) has the molecular formula C17H29ClN4O2 and a molecular weight of 356.90 g/mol. Its IUPAC name is 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl]acetamide;hydrochloride.

Molecular Properties

Compound Name2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl]acetamide;hydrochloride
PubChem CID119817323
Molecular FormulaC17H29ClN4O2
Molecular Weight356.90 g/mol
Exact Mass356.20
IUPAC Name2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl]acetamide;hydrochloride
SMILESCC(NC(=O)CC1CC2CCC(C1)N2)c1nc(C(C)(C)C)no1.Cl
InChIInChI=1S/C17H28N4O2.ClH/c1-10(15-20-16(21-23-15)17(2,3)4)18-14(22)9-11-7-12-5-6-13(8-11)19-12;/h10-13,19H,5-9H2,1-4H3,(H,18,22);1H
InChIKeyITUUHVJTPHPFQN-UHFFFAOYSA-N
XLogP2.89
TPSA80.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.90
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-amino-N-[1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl]cyclopentane-1-carboxamide
CID 119817308
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]acetamide
CID 79614754
(2R)-2-amino-N-[1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl]propanamide;hydrochloride
CID 119342865
7-amino-N-[1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl]heptanamide;hydrochloride
CID 119817299
3-amino-N-[1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl]bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride
CID 119817309
cis-(1R,2S)-2-[[(1S)-1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl]carbamoyl]cyclopropane-1-carboxylic acid
CID 125119041
cis-(1S,2R)-2-[[(1S)-1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl]carbamoyl]cyclopropane-1-carboxylic acid
CID 125119043
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[1-(1-benzofuran-2-yl)ethyl]acetamide
CID 119691713
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(5-methylhexan-2-yl)acetamide;hydrochloride
CID 119674904
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]acetamide;dihydrochloride
CID 119898122
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(1-naphthalen-2-ylethyl)acetamide;hydrochloride
CID 119685958
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-butan-2-ylacetamide
CID 79608095

Frequently Asked Questions

What is the IUPAC name of 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl]acetamide;hydrochloride?
The IUPAC name of 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl]acetamide;hydrochloride (CID 119817323) is 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl]acetamide;hydrochloride.
What is the SMILES notation for 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl]acetamide;hydrochloride?
The canonical SMILES for 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl]acetamide;hydrochloride is CC(NC(=O)CC1CC2CCC(C1)N2)c1nc(C(C)(C)C)no1.Cl.
What is the InChIKey of 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl]acetamide;hydrochloride?
The InChIKey is ITUUHVJTPHPFQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N4O2.ClH/c1-10(15-20-16(21-23-15)17(2,3)4)18-14(22)9-11-7-12-5-6-13(8-11)19-12;/h10-13,19H,5-9H2,1-4H3,(H,18,22);1H.
What are the key properties of 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl]acetamide;hydrochloride?
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl]acetamide;hydrochloride has a molecular weight of 356.90 g/mol, XLogP of 2.89, 4 rotatable bonds, 2 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)-N-[1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl]acetamide;hydrochloride is sourced from PubChem (CID 119817323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).