N-[2-carbamoyl-4-(4-fluorophenyl)-6-(trifluoromethyl)thieno[2,3-b]pyridin-3-yl]-3-(4-fluorophenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide

C25H15F5N4O3S — CID 19493483

About N-[2-carbamoyl-4-(4-fluorophenyl)-6-(trifluoromethyl)thieno[2,3-b]pyridin-3-yl]-3-(4-fluorophenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide

N-[2-carbamoyl-4-(4-fluorophenyl)-6-(trifluoromethyl)thieno[2,3-b]pyridin-3-yl]-3-(4-fluorophenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide (PubChem CID 19493483) has the molecular formula C25H15F5N4O3S and a molecular weight of 546.48 g/mol. Its IUPAC name is N-[2-carbamoyl-4-(4-fluorophenyl)-6-(trifluoromethyl)thieno[2,3-b]pyridin-3-yl]-3-(4-fluorophenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide.

Molecular Properties

• Compound Name: N-[2-carbamoyl-4-(4-fluorophenyl)-6-(trifluoromethyl)thieno[2,3-b]pyridin-3-yl]-3-(4-fluorophenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
• PubChem CID: 19493483
• Molecular Formula: C25H15F5N4O3S
• Molecular Weight: 546.48 g/mol
• Exact Mass: 546.08
• IUPAC Name: N-[2-carbamoyl-4-(4-fluorophenyl)-6-(trifluoromethyl)thieno[2,3-b]pyridin-3-yl]-3-(4-fluorophenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
• SMILES: NC(=O)c1sc2nc(C(F)(F)F)cc(-c3ccc(F)cc3)c2c1NC(=O)C1CC(c2ccc(F)cc2)=NO1
• InChI: InChI=1S/C25H15F5N4O3S/c26-13-5-1-11(2-6-13)15-9-18(25(28,29)30)32-24-19(15)20(21(38-24)22(31)35)33-23(36)17-10-16(34-37-17)12-3-7-14(27)8-4-12/h1-9,17H,10H2,(H2,31,35)(H,33,36)
• InChIKey: OSUFOSJJGVPCAG-UHFFFAOYSA-N
• XLogP: 5.49
• TPSA: 106.67 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	546.48
LogP ≤ 5	5.49
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-[2-carbamoyl-4-(4-fluorophenyl)-6-(trifluoromethyl)thieno[2,3-b]pyridin-3-yl]-3-(4-fluorophenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide?

The IUPAC name of N-[2-carbamoyl-4-(4-fluorophenyl)-6-(trifluoromethyl)thieno[2,3-b]pyridin-3-yl]-3-(4-fluorophenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide (CID 19493483) is N-[2-carbamoyl-4-(4-fluorophenyl)-6-(trifluoromethyl)thieno[2,3-b]pyridin-3-yl]-3-(4-fluorophenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide.

What is the SMILES notation for N-[2-carbamoyl-4-(4-fluorophenyl)-6-(trifluoromethyl)thieno[2,3-b]pyridin-3-yl]-3-(4-fluorophenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide?

The canonical SMILES for N-[2-carbamoyl-4-(4-fluorophenyl)-6-(trifluoromethyl)thieno[2,3-b]pyridin-3-yl]-3-(4-fluorophenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide is NC(=O)c1sc2nc(C(F)(F)F)cc(-c3ccc(F)cc3)c2c1NC(=O)C1CC(c2ccc(F)cc2)=NO1.

What is the InChIKey of N-[2-carbamoyl-4-(4-fluorophenyl)-6-(trifluoromethyl)thieno[2,3-b]pyridin-3-yl]-3-(4-fluorophenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide?

The InChIKey is OSUFOSJJGVPCAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H15F5N4O3S/c26-13-5-1-11(2-6-13)15-9-18(25(28,29)30)32-24-19(15)20(21(38-24)22(31)35)33-23(36)17-10-16(34-37-17)12-3-7-14(27)8-4-12/h1-9,17H,10H2,(H2,31,35)(H,33,36).

What are the key properties of N-[2-carbamoyl-4-(4-fluorophenyl)-6-(trifluoromethyl)thieno[2,3-b]pyridin-3-yl]-3-(4-fluorophenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide?

N-[2-carbamoyl-4-(4-fluorophenyl)-6-(trifluoromethyl)thieno[2,3-b]pyridin-3-yl]-3-(4-fluorophenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide has a molecular weight of 546.48 g/mol, XLogP of 5.49, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-carbamoyl-4-(4-fluorophenyl)-6-(trifluoromethyl)thieno[2,3-b]pyridin-3-yl]-3-(4-fluorophenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 19493483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).