2-amino-N-(1-azabicyclo[2.2.2]octan-3-yl)-6-chloro-1,3-benzoxazole-4-carboxamide;hydrochloride

C15H18Cl2N4O2 — CID 66892048

IUPAC2-amino-N-(1-azabicyclo[2.2.2]octan-3-yl)-6-chloro-1,3-benzoxazole-4-carboxamide;hydrochloride
SMILESCl.Nc1nc2c(C(=O)NC3CN4CCC3CC4)cc(Cl)cc2o1
InChIInChI=1S/C15H17ClN4O2.ClH/c16-9-5-10(13-12(6-9)22-15(17)19-13)14(21)18-11-7-20-3-1-8(11)2-4-20;/h5-6,8,11H,1-4,7H2,(H2,17,19)(H,18,21);1H
InChIKeySEAVCVLQPSCUND-UHFFFAOYSA-N
MW357.24 g/mol
LogP2.31
Rot. Bonds2

About 2-amino-N-(1-azabicyclo[2.2.2]octan-3-yl)-6-chloro-1,3-benzoxazole-4-carboxamide;hydrochloride

2-amino-N-(1-azabicyclo[2.2.2]octan-3-yl)-6-chloro-1,3-benzoxazole-4-carboxamide;hydrochloride (PubChem CID 66892048) has the molecular formula C15H18Cl2N4O2 and a molecular weight of 357.24 g/mol. Its IUPAC name is 2-amino-N-(1-azabicyclo[2.2.2]octan-3-yl)-6-chloro-1,3-benzoxazole-4-carboxamide;hydrochloride.

Molecular Properties

Compound Name2-amino-N-(1-azabicyclo[2.2.2]octan-3-yl)-6-chloro-1,3-benzoxazole-4-carboxamide;hydrochloride
PubChem CID66892048
Molecular FormulaC15H18Cl2N4O2
Molecular Weight357.24 g/mol
Exact Mass356.08
IUPAC Name2-amino-N-(1-azabicyclo[2.2.2]octan-3-yl)-6-chloro-1,3-benzoxazole-4-carboxamide;hydrochloride
SMILESCl.Nc1nc2c(C(=O)NC3CN4CCC3CC4)cc(Cl)cc2o1
InChIInChI=1S/C15H17ClN4O2.ClH/c16-9-5-10(13-12(6-9)22-15(17)19-13)14(21)18-11-7-20-3-1-8(11)2-4-20;/h5-6,8,11H,1-4,7H2,(H2,17,19)(H,18,21);1H
InChIKeySEAVCVLQPSCUND-UHFFFAOYSA-N
XLogP2.31
TPSA84.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.24
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-amino-N-(1-azabicyclo[2.2.2]octan-3-yl)-6-chloro-1,3-benzoxazole-4-carboxamide;hydrochloride with MolForge

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Related Compounds

5-amino-N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-1-benzofuran-2-carboxamide
CID 10236388
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CID 70042095
N-(1-azabicyclo[2.2.2]octan-3-yl)-2-bromo-4-chlorobenzamide
CID 107988022
N-(1-azabicyclo[2.2.2]octan-3-yl)-2,4-dichlorobenzamide
CID 3523885
2-(4-aminophenyl)-N-(1-azabicyclo[2.2.2]octan-3-yl)-1,3-benzoxazole-4-carboxamide
CID 11552277
N-(1-azabicyclo[2.2.2]octan-3-yl)-2-piperidin-1-yl-1,3-benzoxazole-4-carboxamide;hydrochloride
CID 66873979
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CID 14699984
N-(1-azabicyclo[2.2.2]octan-3-yl)-5-chloro-2,2-dimethyl-3H-1-benzofuran-7-carboxamide
CID 10404685
N-(1-azabicyclo[2.2.2]octan-3-yl)-6-ethenoxy-2-phenyl-1,3-benzoxazole-4-carboxamide
CID 163537932
N-(1-azabicyclo[2.2.2]octan-3-yl)-2-(oxan-4-yl)-1,3-benzoxazole-4-carboxamide;hydrochloride
CID 68998556
N-(1-azabicyclo[2.2.2]octan-3-yl)-2-(dimethylamino)-1,3-benzoxazole-4-carboxamide
CID 24853406

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(1-azabicyclo[2.2.2]octan-3-yl)-6-chloro-1,3-benzoxazole-4-carboxamide;hydrochloride?
The IUPAC name of 2-amino-N-(1-azabicyclo[2.2.2]octan-3-yl)-6-chloro-1,3-benzoxazole-4-carboxamide;hydrochloride (CID 66892048) is 2-amino-N-(1-azabicyclo[2.2.2]octan-3-yl)-6-chloro-1,3-benzoxazole-4-carboxamide;hydrochloride.
What is the SMILES notation for 2-amino-N-(1-azabicyclo[2.2.2]octan-3-yl)-6-chloro-1,3-benzoxazole-4-carboxamide;hydrochloride?
The canonical SMILES for 2-amino-N-(1-azabicyclo[2.2.2]octan-3-yl)-6-chloro-1,3-benzoxazole-4-carboxamide;hydrochloride is Cl.Nc1nc2c(C(=O)NC3CN4CCC3CC4)cc(Cl)cc2o1.
What is the InChIKey of 2-amino-N-(1-azabicyclo[2.2.2]octan-3-yl)-6-chloro-1,3-benzoxazole-4-carboxamide;hydrochloride?
The InChIKey is SEAVCVLQPSCUND-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN4O2.ClH/c16-9-5-10(13-12(6-9)22-15(17)19-13)14(21)18-11-7-20-3-1-8(11)2-4-20;/h5-6,8,11H,1-4,7H2,(H2,17,19)(H,18,21);1H.
What are the key properties of 2-amino-N-(1-azabicyclo[2.2.2]octan-3-yl)-6-chloro-1,3-benzoxazole-4-carboxamide;hydrochloride?
2-amino-N-(1-azabicyclo[2.2.2]octan-3-yl)-6-chloro-1,3-benzoxazole-4-carboxamide;hydrochloride has a molecular weight of 357.24 g/mol, XLogP of 2.31, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(1-azabicyclo[2.2.2]octan-3-yl)-6-chloro-1,3-benzoxazole-4-carboxamide;hydrochloride is sourced from PubChem (CID 66892048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).