ethyl 5-[(4-fluorophenyl)methyl]-1,3-oxazole-4-carboxylate

C13H12FNO3 — CID 25214133

IUPACethyl 5-[(4-fluorophenyl)methyl]-1,3-oxazole-4-carboxylate
SMILESCCOC(=O)c1ncoc1Cc1ccc(F)cc1
InChIInChI=1S/C13H12FNO3/c1-2-17-13(16)12-11(18-8-15-12)7-9-3-5-10(14)6-4-9/h3-6,8H,2,7H2,1H3
InChIKeySJNMMCPQVMTFTJ-UHFFFAOYSA-N
MW249.24 g/mol
LogP2.58
Rot. Bonds4

About ethyl 5-[(4-fluorophenyl)methyl]-1,3-oxazole-4-carboxylate

ethyl 5-[(4-fluorophenyl)methyl]-1,3-oxazole-4-carboxylate (PubChem CID 25214133) has the molecular formula C13H12FNO3 and a molecular weight of 249.24 g/mol. Its IUPAC name is ethyl 5-[(4-fluorophenyl)methyl]-1,3-oxazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 5-[(4-fluorophenyl)methyl]-1,3-oxazole-4-carboxylate
PubChem CID25214133
Molecular FormulaC13H12FNO3
Molecular Weight249.24 g/mol
Exact Mass249.08
IUPAC Nameethyl 5-[(4-fluorophenyl)methyl]-1,3-oxazole-4-carboxylate
SMILESCCOC(=O)c1ncoc1Cc1ccc(F)cc1
InChIInChI=1S/C13H12FNO3/c1-2-17-13(16)12-11(18-8-15-12)7-9-3-5-10(14)6-4-9/h3-6,8H,2,7H2,1H3
InChIKeySJNMMCPQVMTFTJ-UHFFFAOYSA-N
XLogP2.58
TPSA52.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.24
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 5-[(4-fluorophenyl)methyl]-1,3-oxazole-4-carboxylate?
The IUPAC name of ethyl 5-[(4-fluorophenyl)methyl]-1,3-oxazole-4-carboxylate (CID 25214133) is ethyl 5-[(4-fluorophenyl)methyl]-1,3-oxazole-4-carboxylate.
What is the SMILES notation for ethyl 5-[(4-fluorophenyl)methyl]-1,3-oxazole-4-carboxylate?
The canonical SMILES for ethyl 5-[(4-fluorophenyl)methyl]-1,3-oxazole-4-carboxylate is CCOC(=O)c1ncoc1Cc1ccc(F)cc1.
What is the InChIKey of ethyl 5-[(4-fluorophenyl)methyl]-1,3-oxazole-4-carboxylate?
The InChIKey is SJNMMCPQVMTFTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12FNO3/c1-2-17-13(16)12-11(18-8-15-12)7-9-3-5-10(14)6-4-9/h3-6,8H,2,7H2,1H3.
What are the key properties of ethyl 5-[(4-fluorophenyl)methyl]-1,3-oxazole-4-carboxylate?
ethyl 5-[(4-fluorophenyl)methyl]-1,3-oxazole-4-carboxylate has a molecular weight of 249.24 g/mol, XLogP of 2.58, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-[(4-fluorophenyl)methyl]-1,3-oxazole-4-carboxylate is sourced from PubChem (CID 25214133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).