N-(7-azabicyclo[2.2.1]heptan-2-yl)-5-chloro-1,3-benzoxazol-2-amine;hydrochloride

C13H15Cl2N3O — CID 90411938

IUPACN-(7-azabicyclo[2.2.1]heptan-2-yl)-5-chloro-1,3-benzoxazol-2-amine;hydrochloride
SMILESCl.Clc1ccc2oc(NC3CC4CCC3N4)nc2c1
InChIInChI=1S/C13H14ClN3O.ClH/c14-7-1-4-12-11(5-7)17-13(18-12)16-10-6-8-2-3-9(10)15-8;/h1,4-5,8-10,15H,2-3,6H2,(H,16,17);1H
InChIKeyGCNZMGGIAXUAPA-UHFFFAOYSA-N
MW300.19 g/mol
LogP3.21
Rot. Bonds2

About N-(7-azabicyclo[2.2.1]heptan-2-yl)-5-chloro-1,3-benzoxazol-2-amine;hydrochloride

N-(7-azabicyclo[2.2.1]heptan-2-yl)-5-chloro-1,3-benzoxazol-2-amine;hydrochloride (PubChem CID 90411938) has the molecular formula C13H15Cl2N3O and a molecular weight of 300.19 g/mol. Its IUPAC name is N-(7-azabicyclo[2.2.1]heptan-2-yl)-5-chloro-1,3-benzoxazol-2-amine;hydrochloride.

Molecular Properties

Compound NameN-(7-azabicyclo[2.2.1]heptan-2-yl)-5-chloro-1,3-benzoxazol-2-amine;hydrochloride
PubChem CID90411938
Molecular FormulaC13H15Cl2N3O
Molecular Weight300.19 g/mol
Exact Mass299.06
IUPAC NameN-(7-azabicyclo[2.2.1]heptan-2-yl)-5-chloro-1,3-benzoxazol-2-amine;hydrochloride
SMILESCl.Clc1ccc2oc(NC3CC4CCC3N4)nc2c1
InChIInChI=1S/C13H14ClN3O.ClH/c14-7-1-4-12-11(5-7)17-13(18-12)16-10-6-8-2-3-9(10)15-8;/h1,4-5,8-10,15H,2-3,6H2,(H,16,17);1H
InChIKeyGCNZMGGIAXUAPA-UHFFFAOYSA-N
XLogP3.21
TPSA50.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.19
LogP ≤ 53.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-(7-azabicyclo[2.2.1]heptan-2-yl)-5-chloro-1,3-benzoxazol-2-amine;hydrochloride with MolForge

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Related Compounds

3-[(5-chloro-1,3-benzoxazol-2-yl)amino]piperidine-2,6-dione
CID 154810801
5-chloro-N-(3,4-dihydro-2H-chromen-4-yl)-1,3-benzoxazol-2-amine
CID 108774229
trans-(1S,2S)-2-[(5-fluoro-1,3-benzoxazol-2-yl)amino]cyclobutan-1-ol
CID 164633039
N-[(1S,2R,4R)-7-azabicyclo[2.2.1]heptan-2-yl]-2-sulfanyl-1-benzofuran-5-carboxamide
CID 91358573
N-[(1S,2R,4R)-7-azabicyclo[2.2.1]heptan-2-yl]-2-(aziridine-1-carbonyl)-1-benzofuran-5-carboxamide
CID 11723831
2-N-(2,3-dimethylcyclopentyl)-1,3-benzoxazole-2,5-diamine
CID 79890745
2-(7-azabicyclo[2.2.1]heptan-2-yl)-6-chloro-1,3-benzothiazole
CID 79528719
[3-[(5-chloro-1,3-benzoxazol-2-yl)amino]-2-methylpiperidin-1-yl]-[2-(triazol-2-yl)phenyl]methanone
CID 90405506
5-chloro-2-pyrrolidin-3-yl-1,3-benzoxazole
CID 63032538
N-(6-chloro-3,4-dihydro-2H-chromen-4-yl)-5-propan-2-yl-1,3-benzoxazol-2-amine
CID 108777132
(2S,4R)-4-[(2-aminoacetyl)amino]-N-(5-chloro-1,3-benzoxazol-2-yl)pyrrolidine-2-carboxamide;dihydrochloride
CID 70176467
5-chloro-2-methyl-1,3-benzoxazole
CID 29510

Frequently Asked Questions

What is the IUPAC name of N-(7-azabicyclo[2.2.1]heptan-2-yl)-5-chloro-1,3-benzoxazol-2-amine;hydrochloride?
The IUPAC name of N-(7-azabicyclo[2.2.1]heptan-2-yl)-5-chloro-1,3-benzoxazol-2-amine;hydrochloride (CID 90411938) is N-(7-azabicyclo[2.2.1]heptan-2-yl)-5-chloro-1,3-benzoxazol-2-amine;hydrochloride.
What is the SMILES notation for N-(7-azabicyclo[2.2.1]heptan-2-yl)-5-chloro-1,3-benzoxazol-2-amine;hydrochloride?
The canonical SMILES for N-(7-azabicyclo[2.2.1]heptan-2-yl)-5-chloro-1,3-benzoxazol-2-amine;hydrochloride is Cl.Clc1ccc2oc(NC3CC4CCC3N4)nc2c1.
What is the InChIKey of N-(7-azabicyclo[2.2.1]heptan-2-yl)-5-chloro-1,3-benzoxazol-2-amine;hydrochloride?
The InChIKey is GCNZMGGIAXUAPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClN3O.ClH/c14-7-1-4-12-11(5-7)17-13(18-12)16-10-6-8-2-3-9(10)15-8;/h1,4-5,8-10,15H,2-3,6H2,(H,16,17);1H.
What are the key properties of N-(7-azabicyclo[2.2.1]heptan-2-yl)-5-chloro-1,3-benzoxazol-2-amine;hydrochloride?
N-(7-azabicyclo[2.2.1]heptan-2-yl)-5-chloro-1,3-benzoxazol-2-amine;hydrochloride has a molecular weight of 300.19 g/mol, XLogP of 3.21, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(7-azabicyclo[2.2.1]heptan-2-yl)-5-chloro-1,3-benzoxazol-2-amine;hydrochloride is sourced from PubChem (CID 90411938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).