N-(1-azabicyclo[2.2.2]octan-3-yl)-6-(5-methyl-1,3,4-oxadiazol-2-yl)-1,2-benzoxazol-3-amine;hydrochloride

C17H20ClN5O2 — CID 134495882

IUPACN-(1-azabicyclo[2.2.2]octan-3-yl)-6-(5-methyl-1,3,4-oxadiazol-2-yl)-1,2-benzoxazol-3-amine;hydrochloride
SMILESCc1nnc(-c2ccc3c(NC4CN5CCC4CC5)noc3c2)o1.Cl
InChIInChI=1S/C17H19N5O2.ClH/c1-10-19-20-17(23-10)12-2-3-13-15(8-12)24-21-16(13)18-14-9-22-6-4-11(14)5-7-22;/h2-3,8,11,14H,4-7,9H2,1H3,(H,18,21);1H
InChIKeyFAGCMATWGYVVGO-UHFFFAOYSA-N
MW361.83 g/mol
LogP3.11
Rot. Bonds3

About N-(1-azabicyclo[2.2.2]octan-3-yl)-6-(5-methyl-1,3,4-oxadiazol-2-yl)-1,2-benzoxazol-3-amine;hydrochloride

N-(1-azabicyclo[2.2.2]octan-3-yl)-6-(5-methyl-1,3,4-oxadiazol-2-yl)-1,2-benzoxazol-3-amine;hydrochloride (PubChem CID 134495882) has the molecular formula C17H20ClN5O2 and a molecular weight of 361.83 g/mol. Its IUPAC name is N-(1-azabicyclo[2.2.2]octan-3-yl)-6-(5-methyl-1,3,4-oxadiazol-2-yl)-1,2-benzoxazol-3-amine;hydrochloride.

Molecular Properties

Compound NameN-(1-azabicyclo[2.2.2]octan-3-yl)-6-(5-methyl-1,3,4-oxadiazol-2-yl)-1,2-benzoxazol-3-amine;hydrochloride
PubChem CID134495882
Molecular FormulaC17H20ClN5O2
Molecular Weight361.83 g/mol
Exact Mass361.13
IUPAC NameN-(1-azabicyclo[2.2.2]octan-3-yl)-6-(5-methyl-1,3,4-oxadiazol-2-yl)-1,2-benzoxazol-3-amine;hydrochloride
SMILESCc1nnc(-c2ccc3c(NC4CN5CCC4CC5)noc3c2)o1.Cl
InChIInChI=1S/C17H19N5O2.ClH/c1-10-19-20-17(23-10)12-2-3-13-15(8-12)24-21-16(13)18-14-9-22-6-4-11(14)5-7-22;/h2-3,8,11,14H,4-7,9H2,1H3,(H,18,21);1H
InChIKeyFAGCMATWGYVVGO-UHFFFAOYSA-N
XLogP3.11
TPSA80.22 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.83
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-(1-azabicyclo[2.2.2]octan-3-yl)-6-(5-methyl-1,3,4-oxadiazol-2-yl)-1,2-benzoxazol-3-amine;hydrochloride with MolForge

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Launch Full Analysis

Related Compounds

N-[(3S)-1-azabicyclo[2.2.2]octan-3-yl]-6-(5-methyl-1,3,4-oxadiazol-2-yl)-1,2-benzoxazol-3-amine
CID 134495827
N-[(3S)-1-azabicyclo[2.2.2]octan-3-yl]-6-tert-butyl-1,2-benzoxazol-3-amine
CID 134495723
N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-6-methylsulfonyl-1,2-benzoxazol-3-amine;hydrochloride
CID 134495890
N-[(3S)-1-azabicyclo[2.2.2]octan-3-yl]-1,2-benzoxazol-3-amine
CID 134495722
N-(1-azabicyclo[2.2.2]octan-3-yl)-5-fluoro-1,2-benzoxazol-3-amine;hydrochloride
CID 134495757
N-[2-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-1-azabicyclo[2.2.2]octan-3-amine
CID 43675545
N-[(3S)-1-azabicyclo[2.2.2]octan-3-yl]-6-fluoro-7-methoxy-1,2-benzoxazol-3-amine
CID 134495801
N-[(3S)-1-azabicyclo[2.2.2]octan-3-yl]-6-chloro-7-(trifluoromethyl)-1,2-benzoxazol-3-amine
CID 134495895
N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-6-chloro-5-fluoro-7-(trifluoromethyl)-1,2-benzoxazol-3-amine
CID 134495749
4-N-(1-azabicyclo[2.2.2]octan-3-yl)-6-N-ethyl-5-methylpyrimidine-4,6-diamine
CID 80777662
6-methoxy-N-[(3S)-spiro[1-azabicyclo[2.2.2]octane-2,1'-cyclopropane]-3-yl]-1,2-benzoxazol-3-amine
CID 126566491
6-chloro-N-[(3R)-spiro[1-azabicyclo[2.2.2]octane-2,1'-cyclopropane]-3-yl]-1,2-benzoxazol-3-amine
CID 126566492

Frequently Asked Questions

What is the IUPAC name of N-(1-azabicyclo[2.2.2]octan-3-yl)-6-(5-methyl-1,3,4-oxadiazol-2-yl)-1,2-benzoxazol-3-amine;hydrochloride?
The IUPAC name of N-(1-azabicyclo[2.2.2]octan-3-yl)-6-(5-methyl-1,3,4-oxadiazol-2-yl)-1,2-benzoxazol-3-amine;hydrochloride (CID 134495882) is N-(1-azabicyclo[2.2.2]octan-3-yl)-6-(5-methyl-1,3,4-oxadiazol-2-yl)-1,2-benzoxazol-3-amine;hydrochloride.
What is the SMILES notation for N-(1-azabicyclo[2.2.2]octan-3-yl)-6-(5-methyl-1,3,4-oxadiazol-2-yl)-1,2-benzoxazol-3-amine;hydrochloride?
The canonical SMILES for N-(1-azabicyclo[2.2.2]octan-3-yl)-6-(5-methyl-1,3,4-oxadiazol-2-yl)-1,2-benzoxazol-3-amine;hydrochloride is Cc1nnc(-c2ccc3c(NC4CN5CCC4CC5)noc3c2)o1.Cl.
What is the InChIKey of N-(1-azabicyclo[2.2.2]octan-3-yl)-6-(5-methyl-1,3,4-oxadiazol-2-yl)-1,2-benzoxazol-3-amine;hydrochloride?
The InChIKey is FAGCMATWGYVVGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N5O2.ClH/c1-10-19-20-17(23-10)12-2-3-13-15(8-12)24-21-16(13)18-14-9-22-6-4-11(14)5-7-22;/h2-3,8,11,14H,4-7,9H2,1H3,(H,18,21);1H.
What are the key properties of N-(1-azabicyclo[2.2.2]octan-3-yl)-6-(5-methyl-1,3,4-oxadiazol-2-yl)-1,2-benzoxazol-3-amine;hydrochloride?
N-(1-azabicyclo[2.2.2]octan-3-yl)-6-(5-methyl-1,3,4-oxadiazol-2-yl)-1,2-benzoxazol-3-amine;hydrochloride has a molecular weight of 361.83 g/mol, XLogP of 3.11, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-azabicyclo[2.2.2]octan-3-yl)-6-(5-methyl-1,3,4-oxadiazol-2-yl)-1,2-benzoxazol-3-amine;hydrochloride is sourced from PubChem (CID 134495882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).