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

C7H10N2O3 — CID 10850588

IUPACethyl 5-(aminomethyl)-1,2-oxazole-3-carboxylate
SMILESCCOC(=O)c1cc(CN)on1
InChIInChI=1S/C7H10N2O3/c1-2-11-7(10)6-3-5(4-8)12-9-6/h3H,2,4,8H2,1H3
InChIKeyOJXTUWSIXVDNAL-UHFFFAOYSA-N
MW170.17 g/mol
LogP0.31
Rot. Bonds3

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

ethyl 5-(aminomethyl)-1,2-oxazole-3-carboxylate (PubChem CID 10850588) has the molecular formula C7H10N2O3 and a molecular weight of 170.17 g/mol. Its IUPAC name is ethyl 5-(aminomethyl)-1,2-oxazole-3-carboxylate.

Molecular Properties

Compound Nameethyl 5-(aminomethyl)-1,2-oxazole-3-carboxylate
PubChem CID10850588
Molecular FormulaC7H10N2O3
Molecular Weight170.17 g/mol
Exact Mass170.07
IUPAC Nameethyl 5-(aminomethyl)-1,2-oxazole-3-carboxylate
SMILESCCOC(=O)c1cc(CN)on1
InChIInChI=1S/C7H10N2O3/c1-2-11-7(10)6-3-5(4-8)12-9-6/h3H,2,4,8H2,1H3
InChIKeyOJXTUWSIXVDNAL-UHFFFAOYSA-N
XLogP0.31
TPSA78.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.17
LogP ≤ 50.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

Methyl 5-methylisoxazole-3-carboxylate
CID 88245
Ethyl 5-methylisoxazole-3-carboxylate
CID 76677
Methyl 5-formyl-1,2-oxazole-3-carboxylate
CID 24976859
Ethyl 5-chloromethylisoxazole-3-carboxylate
CID 14674306
Ethyl 5-(aminomethyl)isoxazole-3-carboxylate, 5-BOC protected
CID 10588096
Ethyl 5-(bromomethyl)-1,2-oxazole-3-carboxylate
CID 13124955
Methyl 5-(bromomethyl)-1,2-oxazole-3-carboxylate
CID 13371027
Ethyl 5-formylisoxazole-3-carboxylate
CID 14439317
Ethyl 5-(aminomethyl)-1,2-oxazole-3-carboxylate hydrochloride
CID 66895506
Butyl 5-methylisoxazole-3-carboxylate
CID 3020472
5-(Aminomethyl)-1,2-oxazole-3-carboxylic acid hydrochloride
CID 47002883
1-[3-(Methoxymethyl)-1,2-oxazol-5-yl]methanamine hydrochloride
CID 137951364

Frequently Asked Questions

What is the IUPAC name of ethyl 5-(aminomethyl)-1,2-oxazole-3-carboxylate?
The IUPAC name of ethyl 5-(aminomethyl)-1,2-oxazole-3-carboxylate (CID 10850588) is ethyl 5-(aminomethyl)-1,2-oxazole-3-carboxylate.
What is the SMILES notation for ethyl 5-(aminomethyl)-1,2-oxazole-3-carboxylate?
The canonical SMILES for ethyl 5-(aminomethyl)-1,2-oxazole-3-carboxylate is CCOC(=O)c1cc(CN)on1.
What is the InChIKey of ethyl 5-(aminomethyl)-1,2-oxazole-3-carboxylate?
The InChIKey is OJXTUWSIXVDNAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2O3/c1-2-11-7(10)6-3-5(4-8)12-9-6/h3H,2,4,8H2,1H3.
What are the key properties of ethyl 5-(aminomethyl)-1,2-oxazole-3-carboxylate?
ethyl 5-(aminomethyl)-1,2-oxazole-3-carboxylate has a molecular weight of 170.17 g/mol, XLogP of 0.31, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-(aminomethyl)-1,2-oxazole-3-carboxylate is sourced from PubChem (CID 10850588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).