2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-(3-methyl-1,2-oxazol-5-yl)acetamide;hydrochloride

C12H21ClN4O2 — CID 120771771

IUPAC2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-(3-methyl-1,2-oxazol-5-yl)acetamide;hydrochloride
SMILESCc1cc(NC(=O)CN2CCC(C)(CN)C2)on1.Cl
InChIInChI=1S/C12H20N4O2.ClH/c1-9-5-11(18-15-9)14-10(17)6-16-4-3-12(2,7-13)8-16;/h5H,3-4,6-8,13H2,1-2H3,(H,14,17);1H
InChIKeySKGVBGJQXARULQ-UHFFFAOYSA-N
MW288.78 g/mol
LogP1.01
Rot. Bonds4

About 2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-(3-methyl-1,2-oxazol-5-yl)acetamide;hydrochloride

2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-(3-methyl-1,2-oxazol-5-yl)acetamide;hydrochloride (PubChem CID 120771771) has the molecular formula C12H21ClN4O2 and a molecular weight of 288.78 g/mol. Its IUPAC name is 2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-(3-methyl-1,2-oxazol-5-yl)acetamide;hydrochloride.

Molecular Properties

Compound Name2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-(3-methyl-1,2-oxazol-5-yl)acetamide;hydrochloride
PubChem CID120771771
Molecular FormulaC12H21ClN4O2
Molecular Weight288.78 g/mol
Exact Mass288.14
IUPAC Name2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-(3-methyl-1,2-oxazol-5-yl)acetamide;hydrochloride
SMILESCc1cc(NC(=O)CN2CCC(C)(CN)C2)on1.Cl
InChIInChI=1S/C12H20N4O2.ClH/c1-9-5-11(18-15-9)14-10(17)6-16-4-3-12(2,7-13)8-16;/h5H,3-4,6-8,13H2,1-2H3,(H,14,17);1H
InChIKeySKGVBGJQXARULQ-UHFFFAOYSA-N
XLogP1.01
TPSA84.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.78
LogP ≤ 51.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide;hydrochloride
CID 120773332
2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-(2,4,6-trimethylphenyl)acetamide;hydrochloride
CID 120772641
N-(3-methyl-1,2-oxazol-5-yl)-2-morpholin-4-ylacetamide
CID 3045297
N-(3-methyl-1,2-oxazol-5-yl)-2-piperazin-1-ylacetamide
CID 43130598
2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-(2-methyl-6-propan-2-ylphenyl)acetamide;hydrochloride
CID 120772287
2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-(5-chloro-2-pyridinyl)acetamide;dihydrochloride
CID 120773152
2-(1,1-dioxo-1,4-thiazinan-4-yl)-N-(3-methyl-1,2-oxazol-5-yl)acetamide
CID 87037493
N-(3-methyl-1,2-oxazol-5-yl)-2-[4-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]piperazin-1-yl]acetamide
CID 16596717
2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-[2-(4,6-dimethylpyrimidin-2-yl)-5-methylpyrazol-3-yl]acetamide
CID 120773593
2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-[3,5-dimethyl-1-(4-methylphenyl)pyrazol-4-yl]acetamide;hydrochloride
CID 120772229
2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-[2-(2-fluorophenyl)-5-methylpyrazol-3-yl]acetamide;hydrochloride
CID 120773227
[3-methyl-1-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrrolidin-3-yl]methanamine
CID 120967309

Frequently Asked Questions

What is the IUPAC name of 2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-(3-methyl-1,2-oxazol-5-yl)acetamide;hydrochloride?
The IUPAC name of 2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-(3-methyl-1,2-oxazol-5-yl)acetamide;hydrochloride (CID 120771771) is 2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-(3-methyl-1,2-oxazol-5-yl)acetamide;hydrochloride.
What is the SMILES notation for 2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-(3-methyl-1,2-oxazol-5-yl)acetamide;hydrochloride?
The canonical SMILES for 2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-(3-methyl-1,2-oxazol-5-yl)acetamide;hydrochloride is Cc1cc(NC(=O)CN2CCC(C)(CN)C2)on1.Cl.
What is the InChIKey of 2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-(3-methyl-1,2-oxazol-5-yl)acetamide;hydrochloride?
The InChIKey is SKGVBGJQXARULQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O2.ClH/c1-9-5-11(18-15-9)14-10(17)6-16-4-3-12(2,7-13)8-16;/h5H,3-4,6-8,13H2,1-2H3,(H,14,17);1H.
What are the key properties of 2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-(3-methyl-1,2-oxazol-5-yl)acetamide;hydrochloride?
2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-(3-methyl-1,2-oxazol-5-yl)acetamide;hydrochloride has a molecular weight of 288.78 g/mol, XLogP of 1.01, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-(3-methyl-1,2-oxazol-5-yl)acetamide;hydrochloride is sourced from PubChem (CID 120771771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).