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

C12H21ClN4O2 — CID 119922199

IUPAC2-[3-(methylaminomethyl)pyrrolidin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide;hydrochloride
SMILESCNCC1CCN(CC(=O)Nc2cc(C)on2)C1.Cl
InChIInChI=1S/C12H20N4O2.ClH/c1-9-5-11(15-18-9)14-12(17)8-16-4-3-10(7-16)6-13-2;/h5,10,13H,3-4,6-8H2,1-2H3,(H,14,15,17);1H
InChIKeyNKAZROITAMTNEC-UHFFFAOYSA-N
MW288.78 g/mol
LogP0.88
Rot. Bonds5

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

2-[3-(methylaminomethyl)pyrrolidin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide;hydrochloride (PubChem CID 119922199) has the molecular formula C12H21ClN4O2 and a molecular weight of 288.78 g/mol. Its IUPAC name is 2-[3-(methylaminomethyl)pyrrolidin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide;hydrochloride.

Molecular Properties

Compound Name2-[3-(methylaminomethyl)pyrrolidin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide;hydrochloride
PubChem CID119922199
Molecular FormulaC12H21ClN4O2
Molecular Weight288.78 g/mol
Exact Mass288.14
IUPAC Name2-[3-(methylaminomethyl)pyrrolidin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide;hydrochloride
SMILESCNCC1CCN(CC(=O)Nc2cc(C)on2)C1.Cl
InChIInChI=1S/C12H20N4O2.ClH/c1-9-5-11(15-18-9)14-12(17)8-16-4-3-10(7-16)6-13-2;/h5,10,13H,3-4,6-8H2,1-2H3,(H,14,15,17);1H
InChIKeyNKAZROITAMTNEC-UHFFFAOYSA-N
XLogP0.88
TPSA70.40 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.78
LogP ≤ 50.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(3S)-3-aminopyrrolidin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide;hydrochloride
CID 119933945
2-[(3S)-3-[[(5-cyano-2-pyridinyl)amino]methyl]pyrrolidin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 95138569
2-[3-(methylaminomethyl)pyrrolidin-1-yl]-N-(5-methyl-1,3,4-oxadiazol-2-yl)acetamide
CID 63264474
N-(5-methyl-1,2-oxazol-3-yl)-2-[4-[(4-methylpiperazin-1-yl)methyl]piperidin-1-yl]acetamide
CID 56806097
2-(4-benzylpiperidin-1-yl)-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 8904460
N-(2,6-dibromo-4-methylphenyl)-2-[3-(methylaminomethyl)pyrrolidin-1-yl]acetamide
CID 63264074
3-[3-(aminomethyl)pyrrolidin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)propanamide
CID 62063401
2-(4-amino-3,3-dimethylpiperidin-1-yl)-N-(5-methyl-1,2-oxazol-3-yl)acetamide;hydrochloride
CID 120776067
2-(2,6-dimethylmorpholin-4-yl)-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 4882751
3-[4-(ethylaminomethyl)piperidin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)propanamide;hydrochloride
CID 119927941
2-[(3S)-3-acetamidopiperidin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 94190647
N-(4-ethoxyphenyl)-2-[3-(methylaminomethyl)pyrrolidin-1-yl]acetamide;hydrochloride
CID 119921935

Frequently Asked Questions

What is the IUPAC name of 2-[3-(methylaminomethyl)pyrrolidin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide;hydrochloride?
The IUPAC name of 2-[3-(methylaminomethyl)pyrrolidin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide;hydrochloride (CID 119922199) is 2-[3-(methylaminomethyl)pyrrolidin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide;hydrochloride.
What is the SMILES notation for 2-[3-(methylaminomethyl)pyrrolidin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide;hydrochloride?
The canonical SMILES for 2-[3-(methylaminomethyl)pyrrolidin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide;hydrochloride is CNCC1CCN(CC(=O)Nc2cc(C)on2)C1.Cl.
What is the InChIKey of 2-[3-(methylaminomethyl)pyrrolidin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide;hydrochloride?
The InChIKey is NKAZROITAMTNEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O2.ClH/c1-9-5-11(15-18-9)14-12(17)8-16-4-3-10(7-16)6-13-2;/h5,10,13H,3-4,6-8H2,1-2H3,(H,14,15,17);1H.
What are the key properties of 2-[3-(methylaminomethyl)pyrrolidin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide;hydrochloride?
2-[3-(methylaminomethyl)pyrrolidin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide;hydrochloride has a molecular weight of 288.78 g/mol, XLogP of 0.88, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(methylaminomethyl)pyrrolidin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide;hydrochloride is sourced from PubChem (CID 119922199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).