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

C24H26Cl2F3N3O2S — CID 167507888

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

5-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-N-(5-methylhexan-2-yl)-4,6-dihydrothieno[2,3-c]pyrrole-2-carboxamide (PubChem CID 167507888) has the molecular formula C24H26Cl2F3N3O2S and a molecular weight of 548.46 g/mol. Its IUPAC name is 5-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-N-(5-methylhexan-2-yl)-4,6-dihydrothieno[2,3-c]pyrrole-2-carboxamide.

Molecular Properties

• Compound Name: 5-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-N-(5-methylhexan-2-yl)-4,6-dihydrothieno[2,3-c]pyrrole-2-carboxamide
• PubChem CID: 167507888
• Molecular Formula: C24H26Cl2F3N3O2S
• Molecular Weight: 548.46 g/mol
• Exact Mass: 547.11
• IUPAC Name: 5-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-N-(5-methylhexan-2-yl)-4,6-dihydrothieno[2,3-c]pyrrole-2-carboxamide
• SMILES: CC(C)CCC(C)NC(=O)c1cc2c(s1)CN(C1=NOC(c3cc(Cl)cc(Cl)c3)(C(F)(F)F)C1)C2
• InChI: InChI=1S/C24H26Cl2F3N3O2S/c1-13(2)4-5-14(3)30-22(33)19-6-15-11-32(12-20(15)35-19)21-10-23(34-31-21,24(27,28)29)16-7-17(25)9-18(26)8-16/h6-9,13-14H,4-5,10-12H2,1-3H3,(H,30,33)
• InChIKey: IRFBYQSFBVMRPJ-UHFFFAOYSA-N
• XLogP: 7.12
• TPSA: 53.93 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	548.46
LogP ≤ 5	7.12
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of 5-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-N-(5-methylhexan-2-yl)-4,6-dihydrothieno[2,3-c]pyrrole-2-carboxamide (CID 167507888) is 5-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-N-(5-methylhexan-2-yl)-4,6-dihydrothieno[2,3-c]pyrrole-2-carboxamide.

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

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

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

The InChIKey is IRFBYQSFBVMRPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26Cl2F3N3O2S/c1-13(2)4-5-14(3)30-22(33)19-6-15-11-32(12-20(15)35-19)21-10-23(34-31-21,24(27,28)29)16-7-17(25)9-18(26)8-16/h6-9,13-14H,4-5,10-12H2,1-3H3,(H,30,33).

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

5-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-N-(5-methylhexan-2-yl)-4,6-dihydrothieno[2,3-c]pyrrole-2-carboxamide has a molecular weight of 548.46 g/mol, XLogP of 7.12, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-N-(5-methylhexan-2-yl)-4,6-dihydrothieno[2,3-c]pyrrole-2-carboxamide is sourced from PubChem (CID 167507888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).