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

C8H12N2O3 — CID 10103857

IUPACethyl 5-(aminomethyl)-3-methyl-1,2-oxazole-4-carboxylate
SMILESCCOC(=O)c1c(C)noc1CN
InChIInChI=1S/C8H12N2O3/c1-3-12-8(11)7-5(2)10-13-6(7)4-9/h3-4,9H2,1-2H3
InChIKeyLTTUAGKTDSMNQM-UHFFFAOYSA-N
MW184.19 g/mol
LogP0.62
Rot. Bonds3

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

ethyl 5-(aminomethyl)-3-methyl-1,2-oxazole-4-carboxylate (PubChem CID 10103857) has the molecular formula C8H12N2O3 and a molecular weight of 184.19 g/mol. Its IUPAC name is ethyl 5-(aminomethyl)-3-methyl-1,2-oxazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 5-(aminomethyl)-3-methyl-1,2-oxazole-4-carboxylate
PubChem CID10103857
Molecular FormulaC8H12N2O3
Molecular Weight184.19 g/mol
Exact Mass184.08
IUPAC Nameethyl 5-(aminomethyl)-3-methyl-1,2-oxazole-4-carboxylate
SMILESCCOC(=O)c1c(C)noc1CN
InChIInChI=1S/C8H12N2O3/c1-3-12-8(11)7-5(2)10-13-6(7)4-9/h3-4,9H2,1-2H3
InChIKeyLTTUAGKTDSMNQM-UHFFFAOYSA-N
XLogP0.62
TPSA78.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.19
LogP ≤ 50.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze ethyl 5-(aminomethyl)-3-methyl-1,2-oxazole-4-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl 5-(aminomethyl)-3-methyl-1,2-oxazole-4-carboxylate
CID 105434387
4-ethoxycarbonyl-3-methyl-1,2-oxazole-5-carboxylic acid
CID 15692965
ethyl 2-(aminomethyl)-4,6-dimethylpyrimidine-5-carboxylate
CID 167715134
ethyl 3-methyl-5-(methylcarbamoylamino)-1,2-oxazole-4-carboxylate
CID 70611676
ethyl 5-[(E)-hydrazinylidenemethyl]-3-methyl-1,2-oxazole-4-carboxylate
CID 14669023
ethyl 5-(2-chlorophenyl)-3-methyl-1,2-oxazole-4-carboxylate
CID 141465693
ethyl 5-(4-methoxyanilino)-3-methyl-1,2-oxazole-4-carboxylate
CID 44522768
ethyl 2-[(3,5-dimethyl-1,2-oxazole-4-carbonyl)amino]-4,5-dimethylthiophene-3-carboxylate
CID 17248983
ethyl 2-chloro-4,6-dimethylpyrimidine-5-carboxylate
CID 59868739
ethyl 4-bromo-5-ethyl-1,2-oxazole-3-carboxylate
CID 23006238
ethyl 5-methyl-3-propyl-1,2-oxazole-4-carboxylate
CID 66643541
ethyl 5-[[(2,4-dimethoxyphenyl)methyl-(2-ethoxy-2-oxoethyl)amino]methyl]-3-methyl-1,2-oxazole-4-carboxylate
CID 67530941

Frequently Asked Questions

What is the IUPAC name of ethyl 5-(aminomethyl)-3-methyl-1,2-oxazole-4-carboxylate?
The IUPAC name of ethyl 5-(aminomethyl)-3-methyl-1,2-oxazole-4-carboxylate (CID 10103857) is ethyl 5-(aminomethyl)-3-methyl-1,2-oxazole-4-carboxylate.
What is the SMILES notation for ethyl 5-(aminomethyl)-3-methyl-1,2-oxazole-4-carboxylate?
The canonical SMILES for ethyl 5-(aminomethyl)-3-methyl-1,2-oxazole-4-carboxylate is CCOC(=O)c1c(C)noc1CN.
What is the InChIKey of ethyl 5-(aminomethyl)-3-methyl-1,2-oxazole-4-carboxylate?
The InChIKey is LTTUAGKTDSMNQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O3/c1-3-12-8(11)7-5(2)10-13-6(7)4-9/h3-4,9H2,1-2H3.
What are the key properties of ethyl 5-(aminomethyl)-3-methyl-1,2-oxazole-4-carboxylate?
ethyl 5-(aminomethyl)-3-methyl-1,2-oxazole-4-carboxylate has a molecular weight of 184.19 g/mol, XLogP of 0.62, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-(aminomethyl)-3-methyl-1,2-oxazole-4-carboxylate is sourced from PubChem (CID 10103857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).