N-(8-azabicyclo[3.2.1]octan-3-yl)-5-(furan-2-yl)-1,2-oxazole-3-carboxamide;hydrochloride

C15H18ClN3O3 — CID 119459139

IUPACN-(8-azabicyclo[3.2.1]octan-3-yl)-5-(furan-2-yl)-1,2-oxazole-3-carboxamide;hydrochloride
SMILESCl.O=C(NC1CC2CCC(C1)N2)c1cc(-c2ccco2)on1
InChIInChI=1S/C15H17N3O3.ClH/c19-15(17-11-6-9-3-4-10(7-11)16-9)12-8-14(21-18-12)13-2-1-5-20-13;/h1-2,5,8-11,16H,3-4,6-7H2,(H,17,19);1H
InChIKeyHEZVYVCCNPHIBC-UHFFFAOYSA-N
MW323.78 g/mol
LogP2.37
Rot. Bonds3

About N-(8-azabicyclo[3.2.1]octan-3-yl)-5-(furan-2-yl)-1,2-oxazole-3-carboxamide;hydrochloride

N-(8-azabicyclo[3.2.1]octan-3-yl)-5-(furan-2-yl)-1,2-oxazole-3-carboxamide;hydrochloride (PubChem CID 119459139) has the molecular formula C15H18ClN3O3 and a molecular weight of 323.78 g/mol. Its IUPAC name is N-(8-azabicyclo[3.2.1]octan-3-yl)-5-(furan-2-yl)-1,2-oxazole-3-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(8-azabicyclo[3.2.1]octan-3-yl)-5-(furan-2-yl)-1,2-oxazole-3-carboxamide;hydrochloride
PubChem CID119459139
Molecular FormulaC15H18ClN3O3
Molecular Weight323.78 g/mol
Exact Mass323.10
IUPAC NameN-(8-azabicyclo[3.2.1]octan-3-yl)-5-(furan-2-yl)-1,2-oxazole-3-carboxamide;hydrochloride
SMILESCl.O=C(NC1CC2CCC(C1)N2)c1cc(-c2ccco2)on1
InChIInChI=1S/C15H17N3O3.ClH/c19-15(17-11-6-9-3-4-10(7-11)16-9)12-8-14(21-18-12)13-2-1-5-20-13;/h1-2,5,8-11,16H,3-4,6-7H2,(H,17,19);1H
InChIKeyHEZVYVCCNPHIBC-UHFFFAOYSA-N
XLogP2.37
TPSA80.30 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.78
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-(8-azabicyclo[3.2.1]octan-3-yl)-5-(furan-2-yl)-1,2-oxazole-3-carboxamide;hydrochloride with MolForge

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Related Compounds

5-(furan-2-yl)-N-(2-methylpiperidin-4-yl)-1,2-oxazole-3-carboxamide
CID 120601208
5-(furan-2-yl)-N-(6-oxopiperidin-3-yl)-1,2-oxazole-3-carboxamide
CID 62491594
N-(8-azabicyclo[3.2.1]octan-3-yl)-5-pyridin-3-yl-1,2-oxazole-3-carboxamide
CID 119458588
N-(4-ethylcyclohexyl)-5-(furan-2-yl)-1,2-oxazole-3-carboxamide
CID 112817167
N-[(1R,5S)-8-azabicyclo[3.2.1]octan-3-yl]-5-cyclopropyl-1,2-oxazole-3-carboxamide;hydrochloride
CID 118947233
N-(8-azabicyclo[3.2.1]octan-3-yl)-3-(furan-2-yl)-1-phenylpyrazole-5-carboxamide
CID 119455183
N-(8-azabicyclo[3.2.1]octan-3-yl)-2-(furan-2-yl)-4-phenyl-1,3-thiazole-5-carboxamide;dihydrochloride
CID 119455202
N-(8-azabicyclo[3.2.1]octan-3-yl)-1-(3-chlorophenyl)-5-(furan-2-yl)pyrazole-3-carboxamide
CID 119457602
5-(furan-2-yl)-N-[(3R)-2-oxopiperidin-3-yl]-1,2-oxazole-3-carboxamide
CID 94363969
N-(8-azabicyclo[3.2.1]octan-3-yl)-5-ethyl-1,2-oxazole-3-carboxamide
CID 140824507
N-(8-azabicyclo[3.2.1]octan-3-yl)-2-phenyl-1,3-thiazole-4-carboxamide;dihydrochloride
CID 119459274
5-(furan-2-yl)-1,2-oxazole-3-carbonyl chloride
CID 2795555

Frequently Asked Questions

What is the IUPAC name of N-(8-azabicyclo[3.2.1]octan-3-yl)-5-(furan-2-yl)-1,2-oxazole-3-carboxamide;hydrochloride?
The IUPAC name of N-(8-azabicyclo[3.2.1]octan-3-yl)-5-(furan-2-yl)-1,2-oxazole-3-carboxamide;hydrochloride (CID 119459139) is N-(8-azabicyclo[3.2.1]octan-3-yl)-5-(furan-2-yl)-1,2-oxazole-3-carboxamide;hydrochloride.
What is the SMILES notation for N-(8-azabicyclo[3.2.1]octan-3-yl)-5-(furan-2-yl)-1,2-oxazole-3-carboxamide;hydrochloride?
The canonical SMILES for N-(8-azabicyclo[3.2.1]octan-3-yl)-5-(furan-2-yl)-1,2-oxazole-3-carboxamide;hydrochloride is Cl.O=C(NC1CC2CCC(C1)N2)c1cc(-c2ccco2)on1.
What is the InChIKey of N-(8-azabicyclo[3.2.1]octan-3-yl)-5-(furan-2-yl)-1,2-oxazole-3-carboxamide;hydrochloride?
The InChIKey is HEZVYVCCNPHIBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O3.ClH/c19-15(17-11-6-9-3-4-10(7-11)16-9)12-8-14(21-18-12)13-2-1-5-20-13;/h1-2,5,8-11,16H,3-4,6-7H2,(H,17,19);1H.
What are the key properties of N-(8-azabicyclo[3.2.1]octan-3-yl)-5-(furan-2-yl)-1,2-oxazole-3-carboxamide;hydrochloride?
N-(8-azabicyclo[3.2.1]octan-3-yl)-5-(furan-2-yl)-1,2-oxazole-3-carboxamide;hydrochloride has a molecular weight of 323.78 g/mol, XLogP of 2.37, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(8-azabicyclo[3.2.1]octan-3-yl)-5-(furan-2-yl)-1,2-oxazole-3-carboxamide;hydrochloride is sourced from PubChem (CID 119459139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).