N-[4-[5-[(1R)-1-(2,4-dichlorophenoxy)ethyl]-1,2,4-oxadiazol-3-yl]phenyl]furan-2-carboxamide

C21H15Cl2N3O4 — CID 2202607

About N-[4-[5-[(1R)-1-(2,4-dichlorophenoxy)ethyl]-1,2,4-oxadiazol-3-yl]phenyl]furan-2-carboxamide

N-[4-[5-[(1R)-1-(2,4-dichlorophenoxy)ethyl]-1,2,4-oxadiazol-3-yl]phenyl]furan-2-carboxamide (PubChem CID 2202607) has the molecular formula C21H15Cl2N3O4 and a molecular weight of 444.27 g/mol. Its IUPAC name is N-[4-[5-[(1R)-1-(2,4-dichlorophenoxy)ethyl]-1,2,4-oxadiazol-3-yl]phenyl]furan-2-carboxamide.

Molecular Properties

• Compound Name: N-[4-[5-[(1R)-1-(2,4-dichlorophenoxy)ethyl]-1,2,4-oxadiazol-3-yl]phenyl]furan-2-carboxamide
• PubChem CID: 2202607
• Molecular Formula: C21H15Cl2N3O4
• Molecular Weight: 444.27 g/mol
• Exact Mass: 443.04
• IUPAC Name: N-[4-[5-[(1R)-1-(2,4-dichlorophenoxy)ethyl]-1,2,4-oxadiazol-3-yl]phenyl]furan-2-carboxamide
• SMILES: C[C@@H](Oc1ccc(Cl)cc1Cl)c1nc(-c2ccc(NC(=O)c3ccco3)cc2)no1
• InChI: InChI=1S/C21H15Cl2N3O4/c1-12(29-17-9-6-14(22)11-16(17)23)21-25-19(26-30-21)13-4-7-15(8-5-13)24-20(27)18-3-2-10-28-18/h2-12H,1H3,(H,24,27)/t12-/m1/s1
• InChIKey: JKFJOGRDVPVUMJ-GFCCVEGCSA-N
• XLogP: 6.03
• TPSA: 90.39 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	444.27
LogP ≤ 5	6.03
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-[4-[5-[(1R)-1-(2,4-dichlorophenoxy)ethyl]-1,2,4-oxadiazol-3-yl]phenyl]furan-2-carboxamide?

The IUPAC name of N-[4-[5-[(1R)-1-(2,4-dichlorophenoxy)ethyl]-1,2,4-oxadiazol-3-yl]phenyl]furan-2-carboxamide (CID 2202607) is N-[4-[5-[(1R)-1-(2,4-dichlorophenoxy)ethyl]-1,2,4-oxadiazol-3-yl]phenyl]furan-2-carboxamide.

What is the SMILES notation for N-[4-[5-[(1R)-1-(2,4-dichlorophenoxy)ethyl]-1,2,4-oxadiazol-3-yl]phenyl]furan-2-carboxamide?

The canonical SMILES for N-[4-[5-[(1R)-1-(2,4-dichlorophenoxy)ethyl]-1,2,4-oxadiazol-3-yl]phenyl]furan-2-carboxamide is C[C@@H](Oc1ccc(Cl)cc1Cl)c1nc(-c2ccc(NC(=O)c3ccco3)cc2)no1.

What is the InChIKey of N-[4-[5-[(1R)-1-(2,4-dichlorophenoxy)ethyl]-1,2,4-oxadiazol-3-yl]phenyl]furan-2-carboxamide?

The InChIKey is JKFJOGRDVPVUMJ-GFCCVEGCSA-N. The full InChI is InChI=1S/C21H15Cl2N3O4/c1-12(29-17-9-6-14(22)11-16(17)23)21-25-19(26-30-21)13-4-7-15(8-5-13)24-20(27)18-3-2-10-28-18/h2-12H,1H3,(H,24,27)/t12-/m1/s1.

What are the key properties of N-[4-[5-[(1R)-1-(2,4-dichlorophenoxy)ethyl]-1,2,4-oxadiazol-3-yl]phenyl]furan-2-carboxamide?

N-[4-[5-[(1R)-1-(2,4-dichlorophenoxy)ethyl]-1,2,4-oxadiazol-3-yl]phenyl]furan-2-carboxamide has a molecular weight of 444.27 g/mol, XLogP of 6.03, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-[5-[(1R)-1-(2,4-dichlorophenoxy)ethyl]-1,2,4-oxadiazol-3-yl]phenyl]furan-2-carboxamide is sourced from PubChem (CID 2202607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).