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

C23H22Cl2F3N3O3S — CID 175875973

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

5-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-N-(oxan-2-ylmethyl)-4,6-dihydrothieno[2,3-c]pyrrole-2-carboxamide (PubChem CID 175875973) has the molecular formula C23H22Cl2F3N3O3S and a molecular weight of 548.41 g/mol. Its IUPAC name is 5-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-N-(oxan-2-ylmethyl)-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-(oxan-2-ylmethyl)-4,6-dihydrothieno[2,3-c]pyrrole-2-carboxamide
• PubChem CID: 175875973
• Molecular Formula: C23H22Cl2F3N3O3S
• Molecular Weight: 548.41 g/mol
• Exact Mass: 547.07
• IUPAC Name: 5-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-N-(oxan-2-ylmethyl)-4,6-dihydrothieno[2,3-c]pyrrole-2-carboxamide
• SMILES: O=C(NCC1CCCCO1)c1cc2c(s1)CN(C1=NOC(c3cc(Cl)cc(Cl)c3)(C(F)(F)F)C1)C2
• InChI: InChI=1S/C23H22Cl2F3N3O3S/c24-15-6-14(7-16(25)8-15)22(23(26,27)28)9-20(30-34-22)31-11-13-5-18(35-19(13)12-31)21(32)29-10-17-3-1-2-4-33-17/h5-8,17H,1-4,9-12H2,(H,29,32)
• InChIKey: FLEFZTSETCWXAS-UHFFFAOYSA-N
• XLogP: 5.86
• TPSA: 63.16 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	548.41
LogP ≤ 5	5.86
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 5-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-N-(oxan-2-ylmethyl)-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-(oxan-2-ylmethyl)-4,6-dihydrothieno[2,3-c]pyrrole-2-carboxamide (CID 175875973) is 5-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-N-(oxan-2-ylmethyl)-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-(oxan-2-ylmethyl)-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-(oxan-2-ylmethyl)-4,6-dihydrothieno[2,3-c]pyrrole-2-carboxamide is O=C(NCC1CCCCO1)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-(oxan-2-ylmethyl)-4,6-dihydrothieno[2,3-c]pyrrole-2-carboxamide?

The InChIKey is FLEFZTSETCWXAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22Cl2F3N3O3S/c24-15-6-14(7-16(25)8-15)22(23(26,27)28)9-20(30-34-22)31-11-13-5-18(35-19(13)12-31)21(32)29-10-17-3-1-2-4-33-17/h5-8,17H,1-4,9-12H2,(H,29,32).

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

5-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-N-(oxan-2-ylmethyl)-4,6-dihydrothieno[2,3-c]pyrrole-2-carboxamide has a molecular weight of 548.41 g/mol, XLogP of 5.86, 4 rotatable bonds, 1 hydrogen bond donors, and 6 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-(oxan-2-ylmethyl)-4,6-dihydrothieno[2,3-c]pyrrole-2-carboxamide is sourced from PubChem (CID 175875973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).