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

C12H10FNO3 — CID 53419478

IUPACethyl 4-(4-fluorophenyl)-1,3-oxazole-5-carboxylate
SMILESCCOC(=O)c1ocnc1-c1ccc(F)cc1
InChIInChI=1S/C12H10FNO3/c1-2-16-12(15)11-10(14-7-17-11)8-3-5-9(13)6-4-8/h3-7H,2H2,1H3
InChIKeyBNSWGCANVFMZRH-UHFFFAOYSA-N
MW235.21 g/mol
LogP2.66
Rot. Bonds3

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

ethyl 4-(4-fluorophenyl)-1,3-oxazole-5-carboxylate (PubChem CID 53419478) has the molecular formula C12H10FNO3 and a molecular weight of 235.21 g/mol. Its IUPAC name is ethyl 4-(4-fluorophenyl)-1,3-oxazole-5-carboxylate.

Molecular Properties

Compound Nameethyl 4-(4-fluorophenyl)-1,3-oxazole-5-carboxylate
PubChem CID53419478
Molecular FormulaC12H10FNO3
Molecular Weight235.21 g/mol
Exact Mass235.06
IUPAC Nameethyl 4-(4-fluorophenyl)-1,3-oxazole-5-carboxylate
SMILESCCOC(=O)c1ocnc1-c1ccc(F)cc1
InChIInChI=1S/C12H10FNO3/c1-2-16-12(15)11-10(14-7-17-11)8-3-5-9(13)6-4-8/h3-7H,2H2,1H3
InChIKeyBNSWGCANVFMZRH-UHFFFAOYSA-N
XLogP2.66
TPSA52.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.21
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-methyl-2-phenyl-1,3-oxazole-5-carboxylic Acid
CID 4176428
2-Methyl-2-[6-(5-methyl-2-phenyl-1,3-oxazol-4-yl)hexoxy]propanoic acid
CID 21866827
Methyl 4-methyl-2-phenyl-1,3-oxazole-5-carboxylate
CID 3310118
4,5-Diphenyloxazole
CID 613498
Ethyl 2-(4-fluorophenyl)-4-methyl-1,3-oxazole-5-carboxylate
CID 20855104
4-Methyl-2-(4-(trifluoromethyl)phenyl)-1,3-oxazole-5-carboxylic acid
CID 23563099
Methyl 4-phenyl-2-(trifluoromethyl)oxazole-5-carboxylate
CID 56929995
4-[3,5-Bis(trifluoromethyl)phenyl]-5-[4-[3,5-bis(trifluoromethyl)phenyl]-1,3-oxazol-5-yl]-1,3-oxazole
CID 163653403
2,4-Diphenyl-5-oxazolecarboxylic acid
CID 9878459
Ethyl 2-phenyloxazole-5-carboxylate
CID 588985
Ethyl 5-methyl-2-phenyl-4-oxazoleacetate
CID 11288037
4-Phenyl-1,3-oxazole-5-carboxylic acid
CID 57367961

Frequently Asked Questions

What is the IUPAC name of ethyl 4-(4-fluorophenyl)-1,3-oxazole-5-carboxylate?
The IUPAC name of ethyl 4-(4-fluorophenyl)-1,3-oxazole-5-carboxylate (CID 53419478) is ethyl 4-(4-fluorophenyl)-1,3-oxazole-5-carboxylate.
What is the SMILES notation for ethyl 4-(4-fluorophenyl)-1,3-oxazole-5-carboxylate?
The canonical SMILES for ethyl 4-(4-fluorophenyl)-1,3-oxazole-5-carboxylate is CCOC(=O)c1ocnc1-c1ccc(F)cc1.
What is the InChIKey of ethyl 4-(4-fluorophenyl)-1,3-oxazole-5-carboxylate?
The InChIKey is BNSWGCANVFMZRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10FNO3/c1-2-16-12(15)11-10(14-7-17-11)8-3-5-9(13)6-4-8/h3-7H,2H2,1H3.
What are the key properties of ethyl 4-(4-fluorophenyl)-1,3-oxazole-5-carboxylate?
ethyl 4-(4-fluorophenyl)-1,3-oxazole-5-carboxylate has a molecular weight of 235.21 g/mol, XLogP of 2.66, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(4-fluorophenyl)-1,3-oxazole-5-carboxylate is sourced from PubChem (CID 53419478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).