N-(3-amino-2,2-dimethylpropyl)-N-methyl-2-(5-methyl-1,2-oxazol-3-yl)acetamide;hydrochloride

C12H22ClN3O2 — CID 119653437

IUPACN-(3-amino-2,2-dimethylpropyl)-N-methyl-2-(5-methyl-1,2-oxazol-3-yl)acetamide;hydrochloride
SMILESCc1cc(CC(=O)N(C)CC(C)(C)CN)no1.Cl
InChIInChI=1S/C12H21N3O2.ClH/c1-9-5-10(14-17-9)6-11(16)15(4)8-12(2,3)7-13;/h5H,6-8,13H2,1-4H3;1H
InChIKeyJOIIXWHWHAEHHR-UHFFFAOYSA-N
MW275.78 g/mol
LogP1.39
Rot. Bonds5

About N-(3-amino-2,2-dimethylpropyl)-N-methyl-2-(5-methyl-1,2-oxazol-3-yl)acetamide;hydrochloride

N-(3-amino-2,2-dimethylpropyl)-N-methyl-2-(5-methyl-1,2-oxazol-3-yl)acetamide;hydrochloride (PubChem CID 119653437) has the molecular formula C12H22ClN3O2 and a molecular weight of 275.78 g/mol. Its IUPAC name is N-(3-amino-2,2-dimethylpropyl)-N-methyl-2-(5-methyl-1,2-oxazol-3-yl)acetamide;hydrochloride.

Molecular Properties

Compound NameN-(3-amino-2,2-dimethylpropyl)-N-methyl-2-(5-methyl-1,2-oxazol-3-yl)acetamide;hydrochloride
PubChem CID119653437
Molecular FormulaC12H22ClN3O2
Molecular Weight275.78 g/mol
Exact Mass275.14
IUPAC NameN-(3-amino-2,2-dimethylpropyl)-N-methyl-2-(5-methyl-1,2-oxazol-3-yl)acetamide;hydrochloride
SMILESCc1cc(CC(=O)N(C)CC(C)(C)CN)no1.Cl
InChIInChI=1S/C12H21N3O2.ClH/c1-9-5-10(14-17-9)6-11(16)15(4)8-12(2,3)7-13;/h5H,6-8,13H2,1-4H3;1H
InChIKeyJOIIXWHWHAEHHR-UHFFFAOYSA-N
XLogP1.39
TPSA72.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.78
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(3-amino-2,2-dimethylpropyl)-N-methyl-2-(5-methyl-1,2-oxazol-3-yl)acetamide;hydrochloride?
The IUPAC name of N-(3-amino-2,2-dimethylpropyl)-N-methyl-2-(5-methyl-1,2-oxazol-3-yl)acetamide;hydrochloride (CID 119653437) is N-(3-amino-2,2-dimethylpropyl)-N-methyl-2-(5-methyl-1,2-oxazol-3-yl)acetamide;hydrochloride.
What is the SMILES notation for N-(3-amino-2,2-dimethylpropyl)-N-methyl-2-(5-methyl-1,2-oxazol-3-yl)acetamide;hydrochloride?
The canonical SMILES for N-(3-amino-2,2-dimethylpropyl)-N-methyl-2-(5-methyl-1,2-oxazol-3-yl)acetamide;hydrochloride is Cc1cc(CC(=O)N(C)CC(C)(C)CN)no1.Cl.
What is the InChIKey of N-(3-amino-2,2-dimethylpropyl)-N-methyl-2-(5-methyl-1,2-oxazol-3-yl)acetamide;hydrochloride?
The InChIKey is JOIIXWHWHAEHHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O2.ClH/c1-9-5-10(14-17-9)6-11(16)15(4)8-12(2,3)7-13;/h5H,6-8,13H2,1-4H3;1H.
What are the key properties of N-(3-amino-2,2-dimethylpropyl)-N-methyl-2-(5-methyl-1,2-oxazol-3-yl)acetamide;hydrochloride?
N-(3-amino-2,2-dimethylpropyl)-N-methyl-2-(5-methyl-1,2-oxazol-3-yl)acetamide;hydrochloride has a molecular weight of 275.78 g/mol, XLogP of 1.39, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-2,2-dimethylpropyl)-N-methyl-2-(5-methyl-1,2-oxazol-3-yl)acetamide;hydrochloride is sourced from PubChem (CID 119653437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).