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

C23H21Cl2F4N3O2S — CID 167507811

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

N-(cyclopentylmethyl)-5-[5-(3,5-dichloro-4-fluorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-4,6-dihydrothieno[2,3-c]pyrrole-2-carboxamide (PubChem CID 167507811) has the molecular formula C23H21Cl2F4N3O2S and a molecular weight of 550.41 g/mol. Its IUPAC name is N-(cyclopentylmethyl)-5-[5-(3,5-dichloro-4-fluorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-4,6-dihydrothieno[2,3-c]pyrrole-2-carboxamide.

Molecular Properties

• Compound Name: N-(cyclopentylmethyl)-5-[5-(3,5-dichloro-4-fluorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-4,6-dihydrothieno[2,3-c]pyrrole-2-carboxamide
• PubChem CID: 167507811
• Molecular Formula: C23H21Cl2F4N3O2S
• Molecular Weight: 550.41 g/mol
• Exact Mass: 549.07
• IUPAC Name: N-(cyclopentylmethyl)-5-[5-(3,5-dichloro-4-fluorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-4,6-dihydrothieno[2,3-c]pyrrole-2-carboxamide
• SMILES: O=C(NCC1CCCC1)c1cc2c(s1)CN(C1=NOC(c3cc(Cl)c(F)c(Cl)c3)(C(F)(F)F)C1)C2
• InChI: InChI=1S/C23H21Cl2F4N3O2S/c24-15-6-14(7-16(25)20(15)26)22(23(27,28)29)8-19(31-34-22)32-10-13-5-17(35-18(13)11-32)21(33)30-9-12-3-1-2-4-12/h5-7,12H,1-4,8-11H2,(H,30,33)
• InChIKey: OLQGHGNPOJAREP-UHFFFAOYSA-N
• XLogP: 6.62
• TPSA: 53.93 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	550.41
LogP ≤ 5	6.62
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 N-(cyclopentylmethyl)-5-[5-(3,5-dichloro-4-fluorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-4,6-dihydrothieno[2,3-c]pyrrole-2-carboxamide?

The IUPAC name of N-(cyclopentylmethyl)-5-[5-(3,5-dichloro-4-fluorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-4,6-dihydrothieno[2,3-c]pyrrole-2-carboxamide (CID 167507811) is N-(cyclopentylmethyl)-5-[5-(3,5-dichloro-4-fluorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-4,6-dihydrothieno[2,3-c]pyrrole-2-carboxamide.

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

The canonical SMILES for N-(cyclopentylmethyl)-5-[5-(3,5-dichloro-4-fluorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-4,6-dihydrothieno[2,3-c]pyrrole-2-carboxamide is O=C(NCC1CCCC1)c1cc2c(s1)CN(C1=NOC(c3cc(Cl)c(F)c(Cl)c3)(C(F)(F)F)C1)C2.

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

The InChIKey is OLQGHGNPOJAREP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21Cl2F4N3O2S/c24-15-6-14(7-16(25)20(15)26)22(23(27,28)29)8-19(31-34-22)32-10-13-5-17(35-18(13)11-32)21(33)30-9-12-3-1-2-4-12/h5-7,12H,1-4,8-11H2,(H,30,33).

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

N-(cyclopentylmethyl)-5-[5-(3,5-dichloro-4-fluorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-4,6-dihydrothieno[2,3-c]pyrrole-2-carboxamide has a molecular weight of 550.41 g/mol, XLogP of 6.62, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-(cyclopentylmethyl)-5-[5-(3,5-dichloro-4-fluorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-4,6-dihydrothieno[2,3-c]pyrrole-2-carboxamide is sourced from PubChem (CID 167507811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).