ethyl 2-amino-5-(2-fluoroethyl)-1,3-oxazole-4-carboxylate

C8H11FN2O3 — CID 170720274

IUPACethyl 2-amino-5-(2-fluoroethyl)-1,3-oxazole-4-carboxylate
SMILESCCOC(=O)c1nc(N)oc1CCF
InChIInChI=1S/C8H11FN2O3/c1-2-13-7(12)6-5(3-4-9)14-8(10)11-6/h2-4H2,1H3,(H2,10,11)
InChIKeyCLEFJAFEJRFNEK-UHFFFAOYSA-N
MW202.18 g/mol
LogP0.95
Rot. Bonds4

About ethyl 2-amino-5-(2-fluoroethyl)-1,3-oxazole-4-carboxylate

ethyl 2-amino-5-(2-fluoroethyl)-1,3-oxazole-4-carboxylate (PubChem CID 170720274) has the molecular formula C8H11FN2O3 and a molecular weight of 202.18 g/mol. Its IUPAC name is ethyl 2-amino-5-(2-fluoroethyl)-1,3-oxazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 2-amino-5-(2-fluoroethyl)-1,3-oxazole-4-carboxylate
PubChem CID170720274
Molecular FormulaC8H11FN2O3
Molecular Weight202.18 g/mol
Exact Mass202.08
IUPAC Nameethyl 2-amino-5-(2-fluoroethyl)-1,3-oxazole-4-carboxylate
SMILESCCOC(=O)c1nc(N)oc1CCF
InChIInChI=1S/C8H11FN2O3/c1-2-13-7(12)6-5(3-4-9)14-8(10)11-6/h2-4H2,1H3,(H2,10,11)
InChIKeyCLEFJAFEJRFNEK-UHFFFAOYSA-N
XLogP0.95
TPSA78.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.18
LogP ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-amino-5-(2-fluoroethyl)-1,3-oxazole-4-carboxylate?
The IUPAC name of ethyl 2-amino-5-(2-fluoroethyl)-1,3-oxazole-4-carboxylate (CID 170720274) is ethyl 2-amino-5-(2-fluoroethyl)-1,3-oxazole-4-carboxylate.
What is the SMILES notation for ethyl 2-amino-5-(2-fluoroethyl)-1,3-oxazole-4-carboxylate?
The canonical SMILES for ethyl 2-amino-5-(2-fluoroethyl)-1,3-oxazole-4-carboxylate is CCOC(=O)c1nc(N)oc1CCF.
What is the InChIKey of ethyl 2-amino-5-(2-fluoroethyl)-1,3-oxazole-4-carboxylate?
The InChIKey is CLEFJAFEJRFNEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11FN2O3/c1-2-13-7(12)6-5(3-4-9)14-8(10)11-6/h2-4H2,1H3,(H2,10,11).
What are the key properties of ethyl 2-amino-5-(2-fluoroethyl)-1,3-oxazole-4-carboxylate?
ethyl 2-amino-5-(2-fluoroethyl)-1,3-oxazole-4-carboxylate has a molecular weight of 202.18 g/mol, XLogP of 0.95, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-amino-5-(2-fluoroethyl)-1,3-oxazole-4-carboxylate is sourced from PubChem (CID 170720274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).