N-(2-amino-1-cyclopropylethyl)-2-(3,5-dimethyl-1,2-oxazol-4-yl)acetamide;hydrochloride

C12H20ClN3O2 — CID 119614131

IUPACN-(2-amino-1-cyclopropylethyl)-2-(3,5-dimethyl-1,2-oxazol-4-yl)acetamide;hydrochloride
SMILESCc1noc(C)c1CC(=O)NC(CN)C1CC1.Cl
InChIInChI=1S/C12H19N3O2.ClH/c1-7-10(8(2)17-15-7)5-12(16)14-11(6-13)9-3-4-9;/h9,11H,3-6,13H2,1-2H3,(H,14,16);1H
InChIKeyRVLAAPWEUOFKRG-UHFFFAOYSA-N
MW273.76 g/mol
LogP1.11
Rot. Bonds5

About N-(2-amino-1-cyclopropylethyl)-2-(3,5-dimethyl-1,2-oxazol-4-yl)acetamide;hydrochloride

N-(2-amino-1-cyclopropylethyl)-2-(3,5-dimethyl-1,2-oxazol-4-yl)acetamide;hydrochloride (PubChem CID 119614131) has the molecular formula C12H20ClN3O2 and a molecular weight of 273.76 g/mol. Its IUPAC name is N-(2-amino-1-cyclopropylethyl)-2-(3,5-dimethyl-1,2-oxazol-4-yl)acetamide;hydrochloride.

Molecular Properties

Compound NameN-(2-amino-1-cyclopropylethyl)-2-(3,5-dimethyl-1,2-oxazol-4-yl)acetamide;hydrochloride
PubChem CID119614131
Molecular FormulaC12H20ClN3O2
Molecular Weight273.76 g/mol
Exact Mass273.12
IUPAC NameN-(2-amino-1-cyclopropylethyl)-2-(3,5-dimethyl-1,2-oxazol-4-yl)acetamide;hydrochloride
SMILESCc1noc(C)c1CC(=O)NC(CN)C1CC1.Cl
InChIInChI=1S/C12H19N3O2.ClH/c1-7-10(8(2)17-15-7)5-12(16)14-11(6-13)9-3-4-9;/h9,11H,3-6,13H2,1-2H3,(H,14,16);1H
InChIKeyRVLAAPWEUOFKRG-UHFFFAOYSA-N
XLogP1.11
TPSA81.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.76
LogP ≤ 51.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(R)-cyclopropyl(phenyl)methyl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)acetamide
CID 93235402
N-(2-cyclopropyl-2-hydroxyethyl)-2-(3,5-dimethyl-1,2-oxazol-4-yl)acetamide
CID 63294569
3-cyclopropyl-3-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propanoylamino]propanoic acid
CID 81361737
N-(2-amino-1-cyclopropylethyl)-3-methyl-1,2-oxazole-5-carboxamide;hydrochloride
CID 119617392
N-(1-amino-2-methylpropan-2-yl)-2-(3,5-dimethyl-1,2-oxazol-4-yl)acetamide;hydrochloride
CID 119522371
5-cyclohexyl-4-[[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]amino]pentanoic acid
CID 122056475
N-(2-amino-1-cyclohexylethyl)-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]benzamide
CID 119591141
N-[1-(aminomethyl)cyclopentyl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)acetamide;hydrochloride
CID 119565839
2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(3-methylcyclohexyl)acetamide
CID 47161510
(2R)-2-[[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]amino]-4-methylpentanoic acid
CID 78975585
2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(1-hydroxy-4-methylpentan-3-yl)acetamide
CID 103751044
N-(2-amino-1-cyclopropylethyl)-2-[4-(2-methylpropyl)phenyl]acetamide;hydrochloride
CID 119615543

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-1-cyclopropylethyl)-2-(3,5-dimethyl-1,2-oxazol-4-yl)acetamide;hydrochloride?
The IUPAC name of N-(2-amino-1-cyclopropylethyl)-2-(3,5-dimethyl-1,2-oxazol-4-yl)acetamide;hydrochloride (CID 119614131) is N-(2-amino-1-cyclopropylethyl)-2-(3,5-dimethyl-1,2-oxazol-4-yl)acetamide;hydrochloride.
What is the SMILES notation for N-(2-amino-1-cyclopropylethyl)-2-(3,5-dimethyl-1,2-oxazol-4-yl)acetamide;hydrochloride?
The canonical SMILES for N-(2-amino-1-cyclopropylethyl)-2-(3,5-dimethyl-1,2-oxazol-4-yl)acetamide;hydrochloride is Cc1noc(C)c1CC(=O)NC(CN)C1CC1.Cl.
What is the InChIKey of N-(2-amino-1-cyclopropylethyl)-2-(3,5-dimethyl-1,2-oxazol-4-yl)acetamide;hydrochloride?
The InChIKey is RVLAAPWEUOFKRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O2.ClH/c1-7-10(8(2)17-15-7)5-12(16)14-11(6-13)9-3-4-9;/h9,11H,3-6,13H2,1-2H3,(H,14,16);1H.
What are the key properties of N-(2-amino-1-cyclopropylethyl)-2-(3,5-dimethyl-1,2-oxazol-4-yl)acetamide;hydrochloride?
N-(2-amino-1-cyclopropylethyl)-2-(3,5-dimethyl-1,2-oxazol-4-yl)acetamide;hydrochloride has a molecular weight of 273.76 g/mol, XLogP of 1.11, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-1-cyclopropylethyl)-2-(3,5-dimethyl-1,2-oxazol-4-yl)acetamide;hydrochloride is sourced from PubChem (CID 119614131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).