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

C12H11FN2O3 — CID 19768737

IUPACethyl 5-amino-4-(4-fluorophenyl)-1,2-oxazole-3-carboxylate
SMILESCCOC(=O)c1noc(N)c1-c1ccc(F)cc1
InChIInChI=1S/C12H11FN2O3/c1-2-17-12(16)10-9(11(14)18-15-10)7-3-5-8(13)6-4-7/h3-6H,2,14H2,1H3
InChIKeyAEZZMQHPJAMZDY-UHFFFAOYSA-N
MW250.23 g/mol
LogP2.24
Rot. Bonds3

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

ethyl 5-amino-4-(4-fluorophenyl)-1,2-oxazole-3-carboxylate (PubChem CID 19768737) has the molecular formula C12H11FN2O3 and a molecular weight of 250.23 g/mol. Its IUPAC name is ethyl 5-amino-4-(4-fluorophenyl)-1,2-oxazole-3-carboxylate.

Molecular Properties

Compound Nameethyl 5-amino-4-(4-fluorophenyl)-1,2-oxazole-3-carboxylate
PubChem CID19768737
Molecular FormulaC12H11FN2O3
Molecular Weight250.23 g/mol
Exact Mass250.08
IUPAC Nameethyl 5-amino-4-(4-fluorophenyl)-1,2-oxazole-3-carboxylate
SMILESCCOC(=O)c1noc(N)c1-c1ccc(F)cc1
InChIInChI=1S/C12H11FN2O3/c1-2-17-12(16)10-9(11(14)18-15-10)7-3-5-8(13)6-4-7/h3-6H,2,14H2,1H3
InChIKeyAEZZMQHPJAMZDY-UHFFFAOYSA-N
XLogP2.24
TPSA78.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.23
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 5-amino-4-(4-fluorophenyl)-1,2-oxazole-3-carboxylate?
The IUPAC name of ethyl 5-amino-4-(4-fluorophenyl)-1,2-oxazole-3-carboxylate (CID 19768737) is ethyl 5-amino-4-(4-fluorophenyl)-1,2-oxazole-3-carboxylate.
What is the SMILES notation for ethyl 5-amino-4-(4-fluorophenyl)-1,2-oxazole-3-carboxylate?
The canonical SMILES for ethyl 5-amino-4-(4-fluorophenyl)-1,2-oxazole-3-carboxylate is CCOC(=O)c1noc(N)c1-c1ccc(F)cc1.
What is the InChIKey of ethyl 5-amino-4-(4-fluorophenyl)-1,2-oxazole-3-carboxylate?
The InChIKey is AEZZMQHPJAMZDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11FN2O3/c1-2-17-12(16)10-9(11(14)18-15-10)7-3-5-8(13)6-4-7/h3-6H,2,14H2,1H3.
What are the key properties of ethyl 5-amino-4-(4-fluorophenyl)-1,2-oxazole-3-carboxylate?
ethyl 5-amino-4-(4-fluorophenyl)-1,2-oxazole-3-carboxylate has a molecular weight of 250.23 g/mol, XLogP of 2.24, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-amino-4-(4-fluorophenyl)-1,2-oxazole-3-carboxylate is sourced from PubChem (CID 19768737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).