methyl 5-(aminomethyl)-3-methyl-1,2-oxazole-4-carboxylate

C7H10N2O3 — CID 105434387

IUPACmethyl 5-(aminomethyl)-3-methyl-1,2-oxazole-4-carboxylate
SMILESCOC(=O)c1c(C)noc1CN
InChIInChI=1S/C7H10N2O3/c1-4-6(7(10)11-2)5(3-8)12-9-4/h3,8H2,1-2H3
InChIKeyDHDDXPSNGIAVGL-UHFFFAOYSA-N
MW170.17 g/mol
LogP0.23
Rot. Bonds2

About methyl 5-(aminomethyl)-3-methyl-1,2-oxazole-4-carboxylate

methyl 5-(aminomethyl)-3-methyl-1,2-oxazole-4-carboxylate (PubChem CID 105434387) has the molecular formula C7H10N2O3 and a molecular weight of 170.17 g/mol. Its IUPAC name is methyl 5-(aminomethyl)-3-methyl-1,2-oxazole-4-carboxylate.

Molecular Properties

Compound Namemethyl 5-(aminomethyl)-3-methyl-1,2-oxazole-4-carboxylate
PubChem CID105434387
Molecular FormulaC7H10N2O3
Molecular Weight170.17 g/mol
Exact Mass170.07
IUPAC Namemethyl 5-(aminomethyl)-3-methyl-1,2-oxazole-4-carboxylate
SMILESCOC(=O)c1c(C)noc1CN
InChIInChI=1S/C7H10N2O3/c1-4-6(7(10)11-2)5(3-8)12-9-4/h3,8H2,1-2H3
InChIKeyDHDDXPSNGIAVGL-UHFFFAOYSA-N
XLogP0.23
TPSA78.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.17
LogP ≤ 50.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 5-(aminomethyl)-3-methyl-1,2-oxazole-4-carboxylate
CID 10103857
methyl 5-bromo-3-methyl-1,2-oxazole-4-carboxylate
CID 84685263
4-methoxycarbonyl-3-methyl-1,2-oxazole-5-carboxylic acid
CID 5325770
methyl 5-(diethylcarbamoyl)-3-methyl-1,2-oxazole-4-carboxylate
CID 15066157
methyl 5-(tert-butylcarbamoyl)-3-methyl-1,2-oxazole-4-carboxylate
CID 15692973
methyl 3-methyl-5-[(2-methylpropan-2-yl)oxycarbonylamino]-1,2-oxazole-4-carboxylate
CID 10945034
dimethyl 3,6-dimethylpyridazine-4,5-dicarboxylate
CID 10878792
methyl 5-ethyl-3-(methylcarbamoyl)-1,2-oxazole-4-carboxylate
CID 57333910
ethyl 3-methyl-5-(methylcarbamoylamino)-1,2-oxazole-4-carboxylate
CID 70611676
4-ethoxycarbonyl-3-methyl-1,2-oxazole-5-carboxylic acid
CID 15692965
methyl 5-(aminomethyl)-1,3-oxazole-4-carboxylate;hydrochloride
CID 110210984
[2-[(3-methoxycarbonyl-4,5-dimethylthiophen-2-yl)amino]-2-oxoethyl] 5-amino-3-methyl-1,2-oxazole-4-carboxylate
CID 46639760

Frequently Asked Questions

What is the IUPAC name of methyl 5-(aminomethyl)-3-methyl-1,2-oxazole-4-carboxylate?
The IUPAC name of methyl 5-(aminomethyl)-3-methyl-1,2-oxazole-4-carboxylate (CID 105434387) is methyl 5-(aminomethyl)-3-methyl-1,2-oxazole-4-carboxylate.
What is the SMILES notation for methyl 5-(aminomethyl)-3-methyl-1,2-oxazole-4-carboxylate?
The canonical SMILES for methyl 5-(aminomethyl)-3-methyl-1,2-oxazole-4-carboxylate is COC(=O)c1c(C)noc1CN.
What is the InChIKey of methyl 5-(aminomethyl)-3-methyl-1,2-oxazole-4-carboxylate?
The InChIKey is DHDDXPSNGIAVGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2O3/c1-4-6(7(10)11-2)5(3-8)12-9-4/h3,8H2,1-2H3.
What are the key properties of methyl 5-(aminomethyl)-3-methyl-1,2-oxazole-4-carboxylate?
methyl 5-(aminomethyl)-3-methyl-1,2-oxazole-4-carboxylate has a molecular weight of 170.17 g/mol, XLogP of 0.23, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-(aminomethyl)-3-methyl-1,2-oxazole-4-carboxylate is sourced from PubChem (CID 105434387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).