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

C20H14FN3O4S2 — CID 59384886

IUPAC2-[2-(4-fluorophenyl)-5-thiophen-3-yl-1,3-oxazol-4-yl]-N-pyridin-3-ylsulfonylacetamide
SMILESO=C(Cc1nc(-c2ccc(F)cc2)oc1-c1ccsc1)NS(=O)(=O)c1cccnc1
InChIInChI=1S/C20H14FN3O4S2/c21-15-5-3-13(4-6-15)20-23-17(19(28-20)14-7-9-29-12-14)10-18(25)24-30(26,27)16-2-1-8-22-11-16/h1-9,11-12H,10H2,(H,24,25)
InChIKeyPCPWRDKXPBHEDU-UHFFFAOYSA-N
MW443.48 g/mol
LogP3.65
Rot. Bonds6

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

2-[2-(4-fluorophenyl)-5-thiophen-3-yl-1,3-oxazol-4-yl]-N-pyridin-3-ylsulfonylacetamide (PubChem CID 59384886) has the molecular formula C20H14FN3O4S2 and a molecular weight of 443.48 g/mol. Its IUPAC name is 2-[2-(4-fluorophenyl)-5-thiophen-3-yl-1,3-oxazol-4-yl]-N-pyridin-3-ylsulfonylacetamide.

Molecular Properties

Compound Name2-[2-(4-fluorophenyl)-5-thiophen-3-yl-1,3-oxazol-4-yl]-N-pyridin-3-ylsulfonylacetamide
PubChem CID59384886
Molecular FormulaC20H14FN3O4S2
Molecular Weight443.48 g/mol
Exact Mass443.04
IUPAC Name2-[2-(4-fluorophenyl)-5-thiophen-3-yl-1,3-oxazol-4-yl]-N-pyridin-3-ylsulfonylacetamide
SMILESO=C(Cc1nc(-c2ccc(F)cc2)oc1-c1ccsc1)NS(=O)(=O)c1cccnc1
InChIInChI=1S/C20H14FN3O4S2/c21-15-5-3-13(4-6-15)20-23-17(19(28-20)14-7-9-29-12-14)10-18(25)24-30(26,27)16-2-1-8-22-11-16/h1-9,11-12H,10H2,(H,24,25)
InChIKeyPCPWRDKXPBHEDU-UHFFFAOYSA-N
XLogP3.65
TPSA102.16 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.48
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2-[2-(4-fluorophenyl)-5-thiophen-3-yl-1,3-oxazol-4-yl]-N-pyridin-3-ylsulfonylacetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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-ylsulfonylacetamide?
The IUPAC name of 2-[2-(4-fluorophenyl)-5-thiophen-3-yl-1,3-oxazol-4-yl]-N-pyridin-3-ylsulfonylacetamide (CID 59384886) is 2-[2-(4-fluorophenyl)-5-thiophen-3-yl-1,3-oxazol-4-yl]-N-pyridin-3-ylsulfonylacetamide.
What is the SMILES notation for 2-[2-(4-fluorophenyl)-5-thiophen-3-yl-1,3-oxazol-4-yl]-N-pyridin-3-ylsulfonylacetamide?
The canonical SMILES for 2-[2-(4-fluorophenyl)-5-thiophen-3-yl-1,3-oxazol-4-yl]-N-pyridin-3-ylsulfonylacetamide is O=C(Cc1nc(-c2ccc(F)cc2)oc1-c1ccsc1)NS(=O)(=O)c1cccnc1.
What is the InChIKey of 2-[2-(4-fluorophenyl)-5-thiophen-3-yl-1,3-oxazol-4-yl]-N-pyridin-3-ylsulfonylacetamide?
The InChIKey is PCPWRDKXPBHEDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14FN3O4S2/c21-15-5-3-13(4-6-15)20-23-17(19(28-20)14-7-9-29-12-14)10-18(25)24-30(26,27)16-2-1-8-22-11-16/h1-9,11-12H,10H2,(H,24,25).
What are the key properties of 2-[2-(4-fluorophenyl)-5-thiophen-3-yl-1,3-oxazol-4-yl]-N-pyridin-3-ylsulfonylacetamide?
2-[2-(4-fluorophenyl)-5-thiophen-3-yl-1,3-oxazol-4-yl]-N-pyridin-3-ylsulfonylacetamide has a molecular weight of 443.48 g/mol, XLogP of 3.65, 6 rotatable bonds, 1 hydrogen bond donors, and 7 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-ylsulfonylacetamide is sourced from PubChem (CID 59384886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).