ethyl 2-(2-aminocyclohexyl)oxy-1,3-oxazole-4-carboxylate

C12H18N2O4 — CID 113395505

IUPACethyl 2-(2-aminocyclohexyl)oxy-1,3-oxazole-4-carboxylate
SMILESCCOC(=O)c1coc(OC2CCCCC2N)n1
InChIInChI=1S/C12H18N2O4/c1-2-16-11(15)9-7-17-12(14-9)18-10-6-4-3-5-8(10)13/h7-8,10H,2-6,13H2,1H3
InChIKeyRJBYAIACIABIOV-UHFFFAOYSA-N
MW254.29 g/mol
LogP1.50
Rot. Bonds4

About ethyl 2-(2-aminocyclohexyl)oxy-1,3-oxazole-4-carboxylate

ethyl 2-(2-aminocyclohexyl)oxy-1,3-oxazole-4-carboxylate (PubChem CID 113395505) has the molecular formula C12H18N2O4 and a molecular weight of 254.29 g/mol. Its IUPAC name is ethyl 2-(2-aminocyclohexyl)oxy-1,3-oxazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 2-(2-aminocyclohexyl)oxy-1,3-oxazole-4-carboxylate
PubChem CID113395505
Molecular FormulaC12H18N2O4
Molecular Weight254.29 g/mol
Exact Mass254.13
IUPAC Nameethyl 2-(2-aminocyclohexyl)oxy-1,3-oxazole-4-carboxylate
SMILESCCOC(=O)c1coc(OC2CCCCC2N)n1
InChIInChI=1S/C12H18N2O4/c1-2-16-11(15)9-7-17-12(14-9)18-10-6-4-3-5-8(10)13/h7-8,10H,2-6,13H2,1H3
InChIKeyRJBYAIACIABIOV-UHFFFAOYSA-N
XLogP1.50
TPSA87.58 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.29
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze ethyl 2-(2-aminocyclohexyl)oxy-1,3-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

ethyl 2-[2-(methylamino)cyclohexyl]oxy-1,3-oxazole-4-carboxylate
CID 102634249
ethyl 2-[[(1S,2S)-2-hydroxycyclooctyl]amino]-1,3-oxazole-4-carboxylate
CID 146044572
ethyl 2-[3-(2-methoxyethoxy)propoxy]-1,3-oxazole-4-carboxylate
CID 103401572
ethyl 2-[methyl-(4-oxocyclohexyl)amino]-1,3-oxazole-4-carboxylate
CID 113377055
ethyl 2-(3-amino-5-bromophenoxy)-1,3-oxazole-4-carboxylate
CID 103589113
ethyl 2-[4-(aminomethyl)phenoxy]-1,3-oxazole-4-carboxylate
CID 106485684
ethyl 2-[methyl(pyrrolidin-3-yl)amino]-1,3-oxazole-4-carboxylate
CID 113377425
ethyl 2-(2,4-dimethylphenoxy)-1,3-oxazole-4-carboxylate
CID 113376952
ethyl 2-methylsulfonyl-1,3-oxazole-4-carboxylate
CID 151928550
ethyl 2-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]amino]-1,3-oxazole-4-carboxylate
CID 114008821
[(1R,2S)-2-aminocyclohexyl] ethyl carbonate
CID 70041811
ethyl 2-[(2,3-dimethylcyclopentyl)amino]-1,3-oxazole-4-carboxylate
CID 113377315

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(2-aminocyclohexyl)oxy-1,3-oxazole-4-carboxylate?
The IUPAC name of ethyl 2-(2-aminocyclohexyl)oxy-1,3-oxazole-4-carboxylate (CID 113395505) is ethyl 2-(2-aminocyclohexyl)oxy-1,3-oxazole-4-carboxylate.
What is the SMILES notation for ethyl 2-(2-aminocyclohexyl)oxy-1,3-oxazole-4-carboxylate?
The canonical SMILES for ethyl 2-(2-aminocyclohexyl)oxy-1,3-oxazole-4-carboxylate is CCOC(=O)c1coc(OC2CCCCC2N)n1.
What is the InChIKey of ethyl 2-(2-aminocyclohexyl)oxy-1,3-oxazole-4-carboxylate?
The InChIKey is RJBYAIACIABIOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O4/c1-2-16-11(15)9-7-17-12(14-9)18-10-6-4-3-5-8(10)13/h7-8,10H,2-6,13H2,1H3.
What are the key properties of ethyl 2-(2-aminocyclohexyl)oxy-1,3-oxazole-4-carboxylate?
ethyl 2-(2-aminocyclohexyl)oxy-1,3-oxazole-4-carboxylate has a molecular weight of 254.29 g/mol, XLogP of 1.50, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(2-aminocyclohexyl)oxy-1,3-oxazole-4-carboxylate is sourced from PubChem (CID 113395505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).