5-[5-(3,5-dichloro-4-fluorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-N-propan-2-yl-4,6-dihydrothieno[2,3-c]pyrrole-2-carboxamide

C20H17Cl2F4N3O2S — CID 167507860

About 5-[5-(3,5-dichloro-4-fluorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-N-propan-2-yl-4,6-dihydrothieno[2,3-c]pyrrole-2-carboxamide

5-[5-(3,5-dichloro-4-fluorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-N-propan-2-yl-4,6-dihydrothieno[2,3-c]pyrrole-2-carboxamide (PubChem CID 167507860) has the molecular formula C20H17Cl2F4N3O2S and a molecular weight of 510.34 g/mol. Its IUPAC name is 5-[5-(3,5-dichloro-4-fluorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-N-propan-2-yl-4,6-dihydrothieno[2,3-c]pyrrole-2-carboxamide.

Molecular Properties

• Compound Name: 5-[5-(3,5-dichloro-4-fluorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-N-propan-2-yl-4,6-dihydrothieno[2,3-c]pyrrole-2-carboxamide
• PubChem CID: 167507860
• Molecular Formula: C20H17Cl2F4N3O2S
• Molecular Weight: 510.34 g/mol
• Exact Mass: 509.04
• IUPAC Name: 5-[5-(3,5-dichloro-4-fluorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-N-propan-2-yl-4,6-dihydrothieno[2,3-c]pyrrole-2-carboxamide
• SMILES: CC(C)NC(=O)c1cc2c(s1)CN(C1=NOC(c3cc(Cl)c(F)c(Cl)c3)(C(F)(F)F)C1)C2
• InChI: InChI=1S/C20H17Cl2F4N3O2S/c1-9(2)27-18(30)14-3-10-7-29(8-15(10)32-14)16-6-19(31-28-16,20(24,25)26)11-4-12(21)17(23)13(22)5-11/h3-5,9H,6-8H2,1-2H3,(H,27,30)
• InChIKey: SSVUOPMWDUXGQE-UHFFFAOYSA-N
• XLogP: 5.84
• TPSA: 53.93 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 3
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	510.34
LogP ≤ 5	5.84
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 5-[5-(3,5-dichloro-4-fluorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-N-propan-2-yl-4,6-dihydrothieno[2,3-c]pyrrole-2-carboxamide?

The IUPAC name of 5-[5-(3,5-dichloro-4-fluorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-N-propan-2-yl-4,6-dihydrothieno[2,3-c]pyrrole-2-carboxamide (CID 167507860) is 5-[5-(3,5-dichloro-4-fluorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-N-propan-2-yl-4,6-dihydrothieno[2,3-c]pyrrole-2-carboxamide.

What is the SMILES notation for 5-[5-(3,5-dichloro-4-fluorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-N-propan-2-yl-4,6-dihydrothieno[2,3-c]pyrrole-2-carboxamide?

The canonical SMILES for 5-[5-(3,5-dichloro-4-fluorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-N-propan-2-yl-4,6-dihydrothieno[2,3-c]pyrrole-2-carboxamide is CC(C)NC(=O)c1cc2c(s1)CN(C1=NOC(c3cc(Cl)c(F)c(Cl)c3)(C(F)(F)F)C1)C2.

What is the InChIKey of 5-[5-(3,5-dichloro-4-fluorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-N-propan-2-yl-4,6-dihydrothieno[2,3-c]pyrrole-2-carboxamide?

The InChIKey is SSVUOPMWDUXGQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17Cl2F4N3O2S/c1-9(2)27-18(30)14-3-10-7-29(8-15(10)32-14)16-6-19(31-28-16,20(24,25)26)11-4-12(21)17(23)13(22)5-11/h3-5,9H,6-8H2,1-2H3,(H,27,30).

What are the key properties of 5-[5-(3,5-dichloro-4-fluorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-N-propan-2-yl-4,6-dihydrothieno[2,3-c]pyrrole-2-carboxamide?

5-[5-(3,5-dichloro-4-fluorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-N-propan-2-yl-4,6-dihydrothieno[2,3-c]pyrrole-2-carboxamide has a molecular weight of 510.34 g/mol, XLogP of 5.84, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[5-(3,5-dichloro-4-fluorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-N-propan-2-yl-4,6-dihydrothieno[2,3-c]pyrrole-2-carboxamide is sourced from PubChem (CID 167507860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).