3-(3,9-diazabicyclo[4.2.1]nonan-3-ylmethyl)-1,2-oxazole;hydrochloride

C11H18ClN3O — CID 119927525

IUPAC3-(3,9-diazabicyclo[4.2.1]nonan-3-ylmethyl)-1,2-oxazole;hydrochloride
SMILESCl.c1cc(CN2CCC3CCC(C2)N3)no1
InChIInChI=1S/C11H17N3O.ClH/c1-2-10-7-14(5-3-9(1)12-10)8-11-4-6-15-13-11;/h4,6,9-10,12H,1-3,5,7-8H2;1H
InChIKeyRZDBGDGPOLSENH-UHFFFAOYSA-N
MW243.74 g/mol
LogP1.42
Rot. Bonds2

About 3-(3,9-diazabicyclo[4.2.1]nonan-3-ylmethyl)-1,2-oxazole;hydrochloride

3-(3,9-diazabicyclo[4.2.1]nonan-3-ylmethyl)-1,2-oxazole;hydrochloride (PubChem CID 119927525) has the molecular formula C11H18ClN3O and a molecular weight of 243.74 g/mol. Its IUPAC name is 3-(3,9-diazabicyclo[4.2.1]nonan-3-ylmethyl)-1,2-oxazole;hydrochloride.

Molecular Properties

Compound Name3-(3,9-diazabicyclo[4.2.1]nonan-3-ylmethyl)-1,2-oxazole;hydrochloride
PubChem CID119927525
Molecular FormulaC11H18ClN3O
Molecular Weight243.74 g/mol
Exact Mass243.11
IUPAC Name3-(3,9-diazabicyclo[4.2.1]nonan-3-ylmethyl)-1,2-oxazole;hydrochloride
SMILESCl.c1cc(CN2CCC3CCC(C2)N3)no1
InChIInChI=1S/C11H17N3O.ClH/c1-2-10-7-14(5-3-9(1)12-10)8-11-4-6-15-13-11;/h4,6,9-10,12H,1-3,5,7-8H2;1H
InChIKeyRZDBGDGPOLSENH-UHFFFAOYSA-N
XLogP1.42
TPSA41.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.74
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(4-chloro-2-pyridinyl)methyl]-3,9-diazabicyclo[4.2.1]nonane
CID 115314484
3-[(3-cyclopropylpiperazin-1-yl)methyl]-1,2-oxazole
CID 81173891
5-(3,9-diazabicyclo[4.2.1]nonan-3-ylmethyl)-3-methyl-1,2-oxazole;hydrochloride
CID 120966375
3-[(3,4-dichlorophenyl)methyl]-3,9-diazabicyclo[4.2.1]nonane;hydrochloride
CID 119927603
3-[(1-cyclohexylpyrazol-3-yl)methyl]-3,9-diazabicyclo[4.2.1]nonane
CID 115314453
2-(3,9-diazabicyclo[4.2.1]nonan-3-ylmethyl)phenol
CID 115313739
3-[[(3R)-3-(3,5-dimethoxyphenyl)pyrrolidin-1-yl]methyl]-1,2-oxazole
CID 96925768
N-[[1-(1,2-oxazol-3-ylmethyl)pyrrolidin-3-yl]methyl]propan-1-amine
CID 81177841
N-ethyl-1-(1,2-oxazol-3-ylmethyl)piperidin-4-amine
CID 81178472
3-[(2-chlorothiophen-3-yl)methyl]-3,9-diazabicyclo[4.2.1]nonane;hydrochloride
CID 120841988
3-[(3,4-dichlorophenyl)methyl]-3,9-diazabicyclo[4.2.1]nonane
CID 81491207
3-[(2-chlorophenyl)methyl]-3,9-diazabicyclo[4.2.1]nonane;hydrochloride
CID 119927319

Frequently Asked Questions

What is the IUPAC name of 3-(3,9-diazabicyclo[4.2.1]nonan-3-ylmethyl)-1,2-oxazole;hydrochloride?
The IUPAC name of 3-(3,9-diazabicyclo[4.2.1]nonan-3-ylmethyl)-1,2-oxazole;hydrochloride (CID 119927525) is 3-(3,9-diazabicyclo[4.2.1]nonan-3-ylmethyl)-1,2-oxazole;hydrochloride.
What is the SMILES notation for 3-(3,9-diazabicyclo[4.2.1]nonan-3-ylmethyl)-1,2-oxazole;hydrochloride?
The canonical SMILES for 3-(3,9-diazabicyclo[4.2.1]nonan-3-ylmethyl)-1,2-oxazole;hydrochloride is Cl.c1cc(CN2CCC3CCC(C2)N3)no1.
What is the InChIKey of 3-(3,9-diazabicyclo[4.2.1]nonan-3-ylmethyl)-1,2-oxazole;hydrochloride?
The InChIKey is RZDBGDGPOLSENH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O.ClH/c1-2-10-7-14(5-3-9(1)12-10)8-11-4-6-15-13-11;/h4,6,9-10,12H,1-3,5,7-8H2;1H.
What are the key properties of 3-(3,9-diazabicyclo[4.2.1]nonan-3-ylmethyl)-1,2-oxazole;hydrochloride?
3-(3,9-diazabicyclo[4.2.1]nonan-3-ylmethyl)-1,2-oxazole;hydrochloride has a molecular weight of 243.74 g/mol, XLogP of 1.42, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,9-diazabicyclo[4.2.1]nonan-3-ylmethyl)-1,2-oxazole;hydrochloride is sourced from PubChem (CID 119927525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).