3-amino-N-[1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl]bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride

C16H27ClN4O2 — CID 119817309

IUPAC3-amino-N-[1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl]bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride
SMILESCC(NC(=O)C1C2CCC(C2)C1N)c1nc(C(C)(C)C)no1.Cl
InChIInChI=1S/C16H26N4O2.ClH/c1-8(14-19-15(20-22-14)16(2,3)4)18-13(21)11-9-5-6-10(7-9)12(11)17;/h8-12H,5-7,17H2,1-4H3,(H,18,21);1H
InChIKeyXBVXYLZZKRBZEW-UHFFFAOYSA-N
MW342.87 g/mol
LogP2.34
Rot. Bonds3

About 3-amino-N-[1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl]bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride

3-amino-N-[1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl]bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride (PubChem CID 119817309) has the molecular formula C16H27ClN4O2 and a molecular weight of 342.87 g/mol. Its IUPAC name is 3-amino-N-[1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl]bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride.

Molecular Properties

Compound Name3-amino-N-[1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl]bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride
PubChem CID119817309
Molecular FormulaC16H27ClN4O2
Molecular Weight342.87 g/mol
Exact Mass342.18
IUPAC Name3-amino-N-[1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl]bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride
SMILESCC(NC(=O)C1C2CCC(C2)C1N)c1nc(C(C)(C)C)no1.Cl
InChIInChI=1S/C16H26N4O2.ClH/c1-8(14-19-15(20-22-14)16(2,3)4)18-13(21)11-9-5-6-10(7-9)12(11)17;/h8-12H,5-7,17H2,1-4H3,(H,18,21);1H
InChIKeyXBVXYLZZKRBZEW-UHFFFAOYSA-N
XLogP2.34
TPSA94.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.87
LogP ≤ 52.34
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
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
(2R)-2-amino-N-[1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl]propanamide;hydrochloride
CID 119342865
3-amino-N-[1-(3,5-dimethylphenyl)ethyl]bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride
CID 119778488
3-amino-N-[(1S)-1-pyridin-3-ylethyl]bicyclo[2.2.1]heptane-2-carboxamide
CID 81404200
3-amino-N-(1-pyridin-2-ylethyl)bicyclo[2.2.1]heptane-2-carboxamide;dihydrochloride
CID 119830321
3-amino-N-(1-phenylethyl)bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride
CID 119669695
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
3-amino-N-[1-(4-methylphenyl)ethyl]bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride
CID 119705788
3-amino-N-[1-[4-(trifluoromethyl)phenyl]ethyl]bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride
CID 119706887
9-amino-N-[1-(3-cyclohexyl-1,2,4-oxadiazol-5-yl)ethyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride
CID 120991358

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl]bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride?
The IUPAC name of 3-amino-N-[1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl]bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride (CID 119817309) is 3-amino-N-[1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl]bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride.
What is the SMILES notation for 3-amino-N-[1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl]bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride?
The canonical SMILES for 3-amino-N-[1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl]bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride is CC(NC(=O)C1C2CCC(C2)C1N)c1nc(C(C)(C)C)no1.Cl.
What is the InChIKey of 3-amino-N-[1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl]bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride?
The InChIKey is XBVXYLZZKRBZEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4O2.ClH/c1-8(14-19-15(20-22-14)16(2,3)4)18-13(21)11-9-5-6-10(7-9)12(11)17;/h8-12H,5-7,17H2,1-4H3,(H,18,21);1H.
What are the key properties of 3-amino-N-[1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl]bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride?
3-amino-N-[1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl]bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride has a molecular weight of 342.87 g/mol, XLogP of 2.34, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl]bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride is sourced from PubChem (CID 119817309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).