ethyl 2-[2-(4-fluorophenyl)-5-thiophen-3-yl-1,3-oxazol-4-yl]acetate

C17H14FNO3S — CID 13105435

IUPACethyl 2-[2-(4-fluorophenyl)-5-thiophen-3-yl-1,3-oxazol-4-yl]acetate
SMILESCCOC(=O)Cc1nc(-c2ccc(F)cc2)oc1-c1ccsc1
InChIInChI=1S/C17H14FNO3S/c1-2-21-15(20)9-14-16(12-7-8-23-10-12)22-17(19-14)11-3-5-13(18)6-4-11/h3-8,10H,2,9H2,1H3
InChIKeyLIGDWKZNTAHCAA-UHFFFAOYSA-N
MW331.37 g/mol
LogP4.31
Rot. Bonds5

About ethyl 2-[2-(4-fluorophenyl)-5-thiophen-3-yl-1,3-oxazol-4-yl]acetate

ethyl 2-[2-(4-fluorophenyl)-5-thiophen-3-yl-1,3-oxazol-4-yl]acetate (PubChem CID 13105435) has the molecular formula C17H14FNO3S and a molecular weight of 331.37 g/mol. Its IUPAC name is ethyl 2-[2-(4-fluorophenyl)-5-thiophen-3-yl-1,3-oxazol-4-yl]acetate.

Molecular Properties

Compound Nameethyl 2-[2-(4-fluorophenyl)-5-thiophen-3-yl-1,3-oxazol-4-yl]acetate
PubChem CID13105435
Molecular FormulaC17H14FNO3S
Molecular Weight331.37 g/mol
Exact Mass331.07
IUPAC Nameethyl 2-[2-(4-fluorophenyl)-5-thiophen-3-yl-1,3-oxazol-4-yl]acetate
SMILESCCOC(=O)Cc1nc(-c2ccc(F)cc2)oc1-c1ccsc1
InChIInChI=1S/C17H14FNO3S/c1-2-21-15(20)9-14-16(12-7-8-23-10-12)22-17(19-14)11-3-5-13(18)6-4-11/h3-8,10H,2,9H2,1H3
InChIKeyLIGDWKZNTAHCAA-UHFFFAOYSA-N
XLogP4.31
TPSA52.33 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.37
LogP ≤ 54.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[2-(4-fluorophenyl)-5-thiophen-3-yl-1,3-oxazol-4-yl]acetate?
The IUPAC name of ethyl 2-[2-(4-fluorophenyl)-5-thiophen-3-yl-1,3-oxazol-4-yl]acetate (CID 13105435) is ethyl 2-[2-(4-fluorophenyl)-5-thiophen-3-yl-1,3-oxazol-4-yl]acetate.
What is the SMILES notation for ethyl 2-[2-(4-fluorophenyl)-5-thiophen-3-yl-1,3-oxazol-4-yl]acetate?
The canonical SMILES for ethyl 2-[2-(4-fluorophenyl)-5-thiophen-3-yl-1,3-oxazol-4-yl]acetate is CCOC(=O)Cc1nc(-c2ccc(F)cc2)oc1-c1ccsc1.
What is the InChIKey of ethyl 2-[2-(4-fluorophenyl)-5-thiophen-3-yl-1,3-oxazol-4-yl]acetate?
The InChIKey is LIGDWKZNTAHCAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14FNO3S/c1-2-21-15(20)9-14-16(12-7-8-23-10-12)22-17(19-14)11-3-5-13(18)6-4-11/h3-8,10H,2,9H2,1H3.
What are the key properties of ethyl 2-[2-(4-fluorophenyl)-5-thiophen-3-yl-1,3-oxazol-4-yl]acetate?
ethyl 2-[2-(4-fluorophenyl)-5-thiophen-3-yl-1,3-oxazol-4-yl]acetate has a molecular weight of 331.37 g/mol, XLogP of 4.31, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[2-(4-fluorophenyl)-5-thiophen-3-yl-1,3-oxazol-4-yl]acetate is sourced from PubChem (CID 13105435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).