(4-fluorophenyl) 5-thiophen-2-yl-1,2-oxazole-3-carboxylate

C14H8FNO3S — CID 17011456

IUPAC(4-fluorophenyl) 5-thiophen-2-yl-1,2-oxazole-3-carboxylate
SMILESO=C(Oc1ccc(F)cc1)c1cc(-c2cccs2)on1
InChIInChI=1S/C14H8FNO3S/c15-9-3-5-10(6-4-9)18-14(17)11-8-12(19-16-11)13-2-1-7-20-13/h1-8H
InChIKeyXKEOBEJBOYVSQO-UHFFFAOYSA-N
MW289.29 g/mol
LogP3.76
Rot. Bonds3

About (4-fluorophenyl) 5-thiophen-2-yl-1,2-oxazole-3-carboxylate

(4-fluorophenyl) 5-thiophen-2-yl-1,2-oxazole-3-carboxylate (PubChem CID 17011456) has the molecular formula C14H8FNO3S and a molecular weight of 289.29 g/mol. Its IUPAC name is (4-fluorophenyl) 5-thiophen-2-yl-1,2-oxazole-3-carboxylate.

Molecular Properties

Compound Name(4-fluorophenyl) 5-thiophen-2-yl-1,2-oxazole-3-carboxylate
PubChem CID17011456
Molecular FormulaC14H8FNO3S
Molecular Weight289.29 g/mol
Exact Mass289.02
IUPAC Name(4-fluorophenyl) 5-thiophen-2-yl-1,2-oxazole-3-carboxylate
SMILESO=C(Oc1ccc(F)cc1)c1cc(-c2cccs2)on1
InChIInChI=1S/C14H8FNO3S/c15-9-3-5-10(6-4-9)18-14(17)11-8-12(19-16-11)13-2-1-7-20-13/h1-8H
InChIKeyXKEOBEJBOYVSQO-UHFFFAOYSA-N
XLogP3.76
TPSA52.33 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.29
LogP ≤ 53.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phenol_ester', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (4-fluorophenyl) 5-thiophen-2-yl-1,2-oxazole-3-carboxylate?
The IUPAC name of (4-fluorophenyl) 5-thiophen-2-yl-1,2-oxazole-3-carboxylate (CID 17011456) is (4-fluorophenyl) 5-thiophen-2-yl-1,2-oxazole-3-carboxylate.
What is the SMILES notation for (4-fluorophenyl) 5-thiophen-2-yl-1,2-oxazole-3-carboxylate?
The canonical SMILES for (4-fluorophenyl) 5-thiophen-2-yl-1,2-oxazole-3-carboxylate is O=C(Oc1ccc(F)cc1)c1cc(-c2cccs2)on1.
What is the InChIKey of (4-fluorophenyl) 5-thiophen-2-yl-1,2-oxazole-3-carboxylate?
The InChIKey is XKEOBEJBOYVSQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8FNO3S/c15-9-3-5-10(6-4-9)18-14(17)11-8-12(19-16-11)13-2-1-7-20-13/h1-8H.
What are the key properties of (4-fluorophenyl) 5-thiophen-2-yl-1,2-oxazole-3-carboxylate?
(4-fluorophenyl) 5-thiophen-2-yl-1,2-oxazole-3-carboxylate has a molecular weight of 289.29 g/mol, XLogP of 3.76, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-fluorophenyl) 5-thiophen-2-yl-1,2-oxazole-3-carboxylate is sourced from PubChem (CID 17011456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).