N-[1-(aminomethyl)cyclopentyl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)acetamide;hydrochloride

C13H22ClN3O2 — CID 119565839

IUPACN-[1-(aminomethyl)cyclopentyl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)acetamide;hydrochloride
SMILESCc1noc(C)c1CC(=O)NC1(CN)CCCC1.Cl
InChIInChI=1S/C13H21N3O2.ClH/c1-9-11(10(2)18-16-9)7-12(17)15-13(8-14)5-3-4-6-13;/h3-8,14H2,1-2H3,(H,15,17);1H
InChIKeyZBZFIYJDXGXUCP-UHFFFAOYSA-N
MW287.79 g/mol
LogP1.64
Rot. Bonds4

About N-[1-(aminomethyl)cyclopentyl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)acetamide;hydrochloride

N-[1-(aminomethyl)cyclopentyl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)acetamide;hydrochloride (PubChem CID 119565839) has the molecular formula C13H22ClN3O2 and a molecular weight of 287.79 g/mol. Its IUPAC name is N-[1-(aminomethyl)cyclopentyl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)acetamide;hydrochloride.

Molecular Properties

Compound NameN-[1-(aminomethyl)cyclopentyl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)acetamide;hydrochloride
PubChem CID119565839
Molecular FormulaC13H22ClN3O2
Molecular Weight287.79 g/mol
Exact Mass287.14
IUPAC NameN-[1-(aminomethyl)cyclopentyl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)acetamide;hydrochloride
SMILESCc1noc(C)c1CC(=O)NC1(CN)CCCC1.Cl
InChIInChI=1S/C13H21N3O2.ClH/c1-9-11(10(2)18-16-9)7-12(17)15-13(8-14)5-3-4-6-13;/h3-8,14H2,1-2H3,(H,15,17);1H
InChIKeyZBZFIYJDXGXUCP-UHFFFAOYSA-N
XLogP1.64
TPSA81.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.79
LogP ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(aminomethyl)cyclopentyl]-2-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetamide;hydrochloride
CID 119568245
N-(1-amino-2-methylpropan-2-yl)-2-(3,5-dimethyl-1,2-oxazol-4-yl)acetamide;hydrochloride
CID 119522371
3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[1-(hydroxymethyl)cyclopropyl]propanamide
CID 115877466
N-[1-(aminomethyl)cyclopentyl]-3-methyl-1,2-oxazole-5-carboxamide;hydrochloride
CID 119568167
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2-[1-(methylamino)cyclohexyl]acetamide
CID 79236291
1-(aminomethyl)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methylcyclohexane-1-carboxamide
CID 115437572
N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)acetamide
CID 107845762
N-[1-(aminomethyl)cyclopentyl]-2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]propanamide
CID 119565976
N-[1-(aminomethyl)cyclopentyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide;hydrochloride
CID 119980726
N-(2-amino-1-cyclopropylethyl)-2-(3,5-dimethyl-1,2-oxazol-4-yl)acetamide;hydrochloride
CID 119614131
N-[1-(aminomethyl)cyclopentyl]-2-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]acetamide
CID 119568004
1-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propanoylamino]cyclopentane-1-carboxylic acid
CID 43351070

Frequently Asked Questions

What is the IUPAC name of N-[1-(aminomethyl)cyclopentyl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)acetamide;hydrochloride?
The IUPAC name of N-[1-(aminomethyl)cyclopentyl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)acetamide;hydrochloride (CID 119565839) is N-[1-(aminomethyl)cyclopentyl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)acetamide;hydrochloride.
What is the SMILES notation for N-[1-(aminomethyl)cyclopentyl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)acetamide;hydrochloride?
The canonical SMILES for N-[1-(aminomethyl)cyclopentyl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)acetamide;hydrochloride is Cc1noc(C)c1CC(=O)NC1(CN)CCCC1.Cl.
What is the InChIKey of N-[1-(aminomethyl)cyclopentyl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)acetamide;hydrochloride?
The InChIKey is ZBZFIYJDXGXUCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O2.ClH/c1-9-11(10(2)18-16-9)7-12(17)15-13(8-14)5-3-4-6-13;/h3-8,14H2,1-2H3,(H,15,17);1H.
What are the key properties of N-[1-(aminomethyl)cyclopentyl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)acetamide;hydrochloride?
N-[1-(aminomethyl)cyclopentyl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)acetamide;hydrochloride has a molecular weight of 287.79 g/mol, XLogP of 1.64, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(aminomethyl)cyclopentyl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)acetamide;hydrochloride is sourced from PubChem (CID 119565839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).