methyl 3-(2-aminopropan-2-yl)-1,2-oxazole-4-carboxylate;hydrochloride

C8H13ClN2O3 — CID 119031514

IUPACmethyl 3-(2-aminopropan-2-yl)-1,2-oxazole-4-carboxylate;hydrochloride
SMILESCOC(=O)c1conc1C(C)(C)N.Cl
InChIInChI=1S/C8H12N2O3.ClH/c1-8(2,9)6-5(4-13-10-6)7(11)12-3;/h4H,9H2,1-3H3;1H
InChIKeyMFBKHCBATDJJHV-UHFFFAOYSA-N
MW220.66 g/mol
LogP1.08
Rot. Bonds2

About methyl 3-(2-aminopropan-2-yl)-1,2-oxazole-4-carboxylate;hydrochloride

methyl 3-(2-aminopropan-2-yl)-1,2-oxazole-4-carboxylate;hydrochloride (PubChem CID 119031514) has the molecular formula C8H13ClN2O3 and a molecular weight of 220.66 g/mol. Its IUPAC name is methyl 3-(2-aminopropan-2-yl)-1,2-oxazole-4-carboxylate;hydrochloride.

Molecular Properties

Compound Namemethyl 3-(2-aminopropan-2-yl)-1,2-oxazole-4-carboxylate;hydrochloride
PubChem CID119031514
Molecular FormulaC8H13ClN2O3
Molecular Weight220.66 g/mol
Exact Mass220.06
IUPAC Namemethyl 3-(2-aminopropan-2-yl)-1,2-oxazole-4-carboxylate;hydrochloride
SMILESCOC(=O)c1conc1C(C)(C)N.Cl
InChIInChI=1S/C8H12N2O3.ClH/c1-8(2,9)6-5(4-13-10-6)7(11)12-3;/h4H,9H2,1-3H3;1H
InChIKeyMFBKHCBATDJJHV-UHFFFAOYSA-N
XLogP1.08
TPSA78.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.66
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 3-methyl-1,2-oxazole-4-carboxylate
CID 5249569
methyl 3-[2-[(2,5-dimethyl-1,3-oxazole-4-carbonyl)amino]propan-2-yl]-1,2-oxazole-4-carboxylate
CID 126827898
methyl 3-[[tert-butyl(dimethyl)silyl]oxymethyl]-1,2-oxazole-4-carboxylate
CID 168861760
methyl 3-(methylcarbamoyl)-1,2-oxazole-4-carboxylate
CID 125489980
3-(1,1-difluoroethyl)-1,2-oxazole-4-carboxylic acid
CID 154984070
[3-(2-aminopropan-2-yl)-1,2-oxazol-4-yl]-(4-pyridin-4-ylpiperidin-1-yl)methanone
CID 138005386
3-(2-aminopropan-2-yl)-N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-1,2-oxazole-4-carboxamide
CID 138005395
methyl 3-(2-methylphenyl)-1,2-oxazole-4-carboxylate
CID 870098
methyl 3-pyridin-2-yl-1,2-oxazole-4-carboxylate
CID 767299
methyl 4-(2-aminopropan-2-yl)benzoate;hydrochloride
CID 75365746
methyl 3-(4-hydroxy-3-methoxyphenyl)-1,2-oxazole-4-carboxylate
CID 870102
methyl 3-(2,5-dimethoxyphenyl)-1,2-oxazole-4-carboxylate
CID 870182

Frequently Asked Questions

What is the IUPAC name of methyl 3-(2-aminopropan-2-yl)-1,2-oxazole-4-carboxylate;hydrochloride?
The IUPAC name of methyl 3-(2-aminopropan-2-yl)-1,2-oxazole-4-carboxylate;hydrochloride (CID 119031514) is methyl 3-(2-aminopropan-2-yl)-1,2-oxazole-4-carboxylate;hydrochloride.
What is the SMILES notation for methyl 3-(2-aminopropan-2-yl)-1,2-oxazole-4-carboxylate;hydrochloride?
The canonical SMILES for methyl 3-(2-aminopropan-2-yl)-1,2-oxazole-4-carboxylate;hydrochloride is COC(=O)c1conc1C(C)(C)N.Cl.
What is the InChIKey of methyl 3-(2-aminopropan-2-yl)-1,2-oxazole-4-carboxylate;hydrochloride?
The InChIKey is MFBKHCBATDJJHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O3.ClH/c1-8(2,9)6-5(4-13-10-6)7(11)12-3;/h4H,9H2,1-3H3;1H.
What are the key properties of methyl 3-(2-aminopropan-2-yl)-1,2-oxazole-4-carboxylate;hydrochloride?
methyl 3-(2-aminopropan-2-yl)-1,2-oxazole-4-carboxylate;hydrochloride has a molecular weight of 220.66 g/mol, XLogP of 1.08, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(2-aminopropan-2-yl)-1,2-oxazole-4-carboxylate;hydrochloride is sourced from PubChem (CID 119031514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).