2-[2-(4-fluorophenyl)-5-thiophen-3-yl-1,3-oxazol-4-yl]-N-pyridin-3-ylacetamide

C20H14FN3O2S — CID 59384497

IUPAC2-[2-(4-fluorophenyl)-5-thiophen-3-yl-1,3-oxazol-4-yl]-N-pyridin-3-ylacetamide
SMILESO=C(Cc1nc(-c2ccc(F)cc2)oc1-c1ccsc1)Nc1cccnc1
InChIInChI=1S/C20H14FN3O2S/c21-15-5-3-13(4-6-15)20-24-17(19(26-20)14-7-9-27-12-14)10-18(25)23-16-2-1-8-22-11-16/h1-9,11-12H,10H2,(H,23,25)
InChIKeyAUZWDXVDMLBIOR-UHFFFAOYSA-N
MW379.42 g/mol
LogP4.79
Rot. Bonds5

About 2-[2-(4-fluorophenyl)-5-thiophen-3-yl-1,3-oxazol-4-yl]-N-pyridin-3-ylacetamide

2-[2-(4-fluorophenyl)-5-thiophen-3-yl-1,3-oxazol-4-yl]-N-pyridin-3-ylacetamide (PubChem CID 59384497) has the molecular formula C20H14FN3O2S and a molecular weight of 379.42 g/mol. Its IUPAC name is 2-[2-(4-fluorophenyl)-5-thiophen-3-yl-1,3-oxazol-4-yl]-N-pyridin-3-ylacetamide.

Molecular Properties

Compound Name2-[2-(4-fluorophenyl)-5-thiophen-3-yl-1,3-oxazol-4-yl]-N-pyridin-3-ylacetamide
PubChem CID59384497
Molecular FormulaC20H14FN3O2S
Molecular Weight379.42 g/mol
Exact Mass379.08
IUPAC Name2-[2-(4-fluorophenyl)-5-thiophen-3-yl-1,3-oxazol-4-yl]-N-pyridin-3-ylacetamide
SMILESO=C(Cc1nc(-c2ccc(F)cc2)oc1-c1ccsc1)Nc1cccnc1
InChIInChI=1S/C20H14FN3O2S/c21-15-5-3-13(4-6-15)20-24-17(19(26-20)14-7-9-27-12-14)10-18(25)23-16-2-1-8-22-11-16/h1-9,11-12H,10H2,(H,23,25)
InChIKeyAUZWDXVDMLBIOR-UHFFFAOYSA-N
XLogP4.79
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.42
LogP ≤ 54.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-fluorophenyl)-5-thiophen-3-yl-1,3-oxazol-4-yl]-N-pyridin-3-ylacetamide?
The IUPAC name of 2-[2-(4-fluorophenyl)-5-thiophen-3-yl-1,3-oxazol-4-yl]-N-pyridin-3-ylacetamide (CID 59384497) is 2-[2-(4-fluorophenyl)-5-thiophen-3-yl-1,3-oxazol-4-yl]-N-pyridin-3-ylacetamide.
What is the SMILES notation for 2-[2-(4-fluorophenyl)-5-thiophen-3-yl-1,3-oxazol-4-yl]-N-pyridin-3-ylacetamide?
The canonical SMILES for 2-[2-(4-fluorophenyl)-5-thiophen-3-yl-1,3-oxazol-4-yl]-N-pyridin-3-ylacetamide is O=C(Cc1nc(-c2ccc(F)cc2)oc1-c1ccsc1)Nc1cccnc1.
What is the InChIKey of 2-[2-(4-fluorophenyl)-5-thiophen-3-yl-1,3-oxazol-4-yl]-N-pyridin-3-ylacetamide?
The InChIKey is AUZWDXVDMLBIOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14FN3O2S/c21-15-5-3-13(4-6-15)20-24-17(19(26-20)14-7-9-27-12-14)10-18(25)23-16-2-1-8-22-11-16/h1-9,11-12H,10H2,(H,23,25).
What are the key properties of 2-[2-(4-fluorophenyl)-5-thiophen-3-yl-1,3-oxazol-4-yl]-N-pyridin-3-ylacetamide?
2-[2-(4-fluorophenyl)-5-thiophen-3-yl-1,3-oxazol-4-yl]-N-pyridin-3-ylacetamide has a molecular weight of 379.42 g/mol, XLogP of 4.79, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-fluorophenyl)-5-thiophen-3-yl-1,3-oxazol-4-yl]-N-pyridin-3-ylacetamide is sourced from PubChem (CID 59384497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).