ethyl 2-[4-(aminomethyl)phenoxy]-1,3-oxazole-4-carboxylate

C13H14N2O4 — CID 106485684

IUPACethyl 2-[4-(aminomethyl)phenoxy]-1,3-oxazole-4-carboxylate
SMILESCCOC(=O)c1coc(Oc2ccc(CN)cc2)n1
InChIInChI=1S/C13H14N2O4/c1-2-17-12(16)11-8-18-13(15-11)19-10-5-3-9(7-14)4-6-10/h3-6,8H,2,7,14H2,1H3
InChIKeyKZFZYFWPWAYACT-UHFFFAOYSA-N
MW262.26 g/mol
LogP2.10
Rot. Bonds5

About ethyl 2-[4-(aminomethyl)phenoxy]-1,3-oxazole-4-carboxylate

ethyl 2-[4-(aminomethyl)phenoxy]-1,3-oxazole-4-carboxylate (PubChem CID 106485684) has the molecular formula C13H14N2O4 and a molecular weight of 262.26 g/mol. Its IUPAC name is ethyl 2-[4-(aminomethyl)phenoxy]-1,3-oxazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 2-[4-(aminomethyl)phenoxy]-1,3-oxazole-4-carboxylate
PubChem CID106485684
Molecular FormulaC13H14N2O4
Molecular Weight262.26 g/mol
Exact Mass262.10
IUPAC Nameethyl 2-[4-(aminomethyl)phenoxy]-1,3-oxazole-4-carboxylate
SMILESCCOC(=O)c1coc(Oc2ccc(CN)cc2)n1
InChIInChI=1S/C13H14N2O4/c1-2-17-12(16)11-8-18-13(15-11)19-10-5-3-9(7-14)4-6-10/h3-6,8H,2,7,14H2,1H3
InChIKeyKZFZYFWPWAYACT-UHFFFAOYSA-N
XLogP2.10
TPSA87.58 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.26
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 2-[(3,3-dimethyl-1,2-dihydroinden-5-yl)oxy]-1,3-oxazole-4-carboxylate
CID 68967253
ethyl 2-(3-amino-5-bromophenoxy)-1,3-oxazole-4-carboxylate
CID 103589113
ethyl 2-(2,4-dimethylphenoxy)-1,3-oxazole-4-carboxylate
CID 113376952
ethyl 4-[4-(aminomethyl)phenoxy]benzoate
CID 66585359
ethyl 2-(4-bromo-2-chlorophenoxy)-1,3-oxazole-4-carboxylate
CID 113376969
ethyl 6-[4-(aminomethyl)phenoxy]pyridine-3-carboxylate
CID 106485599
ethyl 2-[3-(2-methoxyethoxy)propoxy]-1,3-oxazole-4-carboxylate
CID 103401572
ethyl 2-methylsulfonyl-1,3-oxazole-4-carboxylate
CID 151928550
ethyl 2-(2-aminocyclohexyl)oxy-1,3-oxazole-4-carboxylate
CID 113395505
ethyl 2-[(E)-but-2-en-2-yl]-1,3-oxazole-4-carboxylate
CID 25215536
ethyl 2-(methyliminomethyl)-1,3-oxazole-4-carboxylate
CID 163648530
ethyl 2-[[4-(aminomethyl)phenoxy]methyl]furan-3-carboxylate
CID 106484801

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[4-(aminomethyl)phenoxy]-1,3-oxazole-4-carboxylate?
The IUPAC name of ethyl 2-[4-(aminomethyl)phenoxy]-1,3-oxazole-4-carboxylate (CID 106485684) is ethyl 2-[4-(aminomethyl)phenoxy]-1,3-oxazole-4-carboxylate.
What is the SMILES notation for ethyl 2-[4-(aminomethyl)phenoxy]-1,3-oxazole-4-carboxylate?
The canonical SMILES for ethyl 2-[4-(aminomethyl)phenoxy]-1,3-oxazole-4-carboxylate is CCOC(=O)c1coc(Oc2ccc(CN)cc2)n1.
What is the InChIKey of ethyl 2-[4-(aminomethyl)phenoxy]-1,3-oxazole-4-carboxylate?
The InChIKey is KZFZYFWPWAYACT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O4/c1-2-17-12(16)11-8-18-13(15-11)19-10-5-3-9(7-14)4-6-10/h3-6,8H,2,7,14H2,1H3.
What are the key properties of ethyl 2-[4-(aminomethyl)phenoxy]-1,3-oxazole-4-carboxylate?
ethyl 2-[4-(aminomethyl)phenoxy]-1,3-oxazole-4-carboxylate has a molecular weight of 262.26 g/mol, XLogP of 2.10, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[4-(aminomethyl)phenoxy]-1,3-oxazole-4-carboxylate is sourced from PubChem (CID 106485684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).