ethyl 5-(2-fluoro-4,5-dimethoxyphenyl)-1,3-oxazole-4-carboxylate

C14H14FNO5 — CID 626444

IUPACethyl 5-(2-fluoro-4,5-dimethoxyphenyl)-1,3-oxazole-4-carboxylate
SMILESCCOC(=O)c1ncoc1-c1cc(OC)c(OC)cc1F
InChIInChI=1S/C14H14FNO5/c1-4-20-14(17)12-13(21-7-16-12)8-5-10(18-2)11(19-3)6-9(8)15/h5-7H,4H2,1-3H3
InChIKeyCTHHAPJQOJNFRZ-UHFFFAOYSA-N
MW295.27 g/mol
LogP2.67
Rot. Bonds5

About ethyl 5-(2-fluoro-4,5-dimethoxyphenyl)-1,3-oxazole-4-carboxylate

ethyl 5-(2-fluoro-4,5-dimethoxyphenyl)-1,3-oxazole-4-carboxylate (PubChem CID 626444) has the molecular formula C14H14FNO5 and a molecular weight of 295.27 g/mol. Its IUPAC name is ethyl 5-(2-fluoro-4,5-dimethoxyphenyl)-1,3-oxazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 5-(2-fluoro-4,5-dimethoxyphenyl)-1,3-oxazole-4-carboxylate
PubChem CID626444
Molecular FormulaC14H14FNO5
Molecular Weight295.27 g/mol
Exact Mass295.09
IUPAC Nameethyl 5-(2-fluoro-4,5-dimethoxyphenyl)-1,3-oxazole-4-carboxylate
SMILESCCOC(=O)c1ncoc1-c1cc(OC)c(OC)cc1F
InChIInChI=1S/C14H14FNO5/c1-4-20-14(17)12-13(21-7-16-12)8-5-10(18-2)11(19-3)6-9(8)15/h5-7H,4H2,1-3H3
InChIKeyCTHHAPJQOJNFRZ-UHFFFAOYSA-N
XLogP2.67
TPSA70.79 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.27
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl 5-(2-fluoro-4,5-dimethoxyphenyl)-1,3-oxazole-4-carboxylate?
The IUPAC name of ethyl 5-(2-fluoro-4,5-dimethoxyphenyl)-1,3-oxazole-4-carboxylate (CID 626444) is ethyl 5-(2-fluoro-4,5-dimethoxyphenyl)-1,3-oxazole-4-carboxylate.
What is the SMILES notation for ethyl 5-(2-fluoro-4,5-dimethoxyphenyl)-1,3-oxazole-4-carboxylate?
The canonical SMILES for ethyl 5-(2-fluoro-4,5-dimethoxyphenyl)-1,3-oxazole-4-carboxylate is CCOC(=O)c1ncoc1-c1cc(OC)c(OC)cc1F.
What is the InChIKey of ethyl 5-(2-fluoro-4,5-dimethoxyphenyl)-1,3-oxazole-4-carboxylate?
The InChIKey is CTHHAPJQOJNFRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14FNO5/c1-4-20-14(17)12-13(21-7-16-12)8-5-10(18-2)11(19-3)6-9(8)15/h5-7H,4H2,1-3H3.
What are the key properties of ethyl 5-(2-fluoro-4,5-dimethoxyphenyl)-1,3-oxazole-4-carboxylate?
ethyl 5-(2-fluoro-4,5-dimethoxyphenyl)-1,3-oxazole-4-carboxylate has a molecular weight of 295.27 g/mol, XLogP of 2.67, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-(2-fluoro-4,5-dimethoxyphenyl)-1,3-oxazole-4-carboxylate is sourced from PubChem (CID 626444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).