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

C24H19N5O3 — CID 53138548

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

N-[3-[3-[3-(2-ethylpyrazol-3-yl)phenyl]-1,2,4-oxadiazol-5-yl]phenyl]furan-2-carboxamide (PubChem CID 53138548) has the molecular formula C24H19N5O3 and a molecular weight of 425.45 g/mol. Its IUPAC name is N-[3-[3-[3-(2-ethylpyrazol-3-yl)phenyl]-1,2,4-oxadiazol-5-yl]phenyl]furan-2-carboxamide.

Molecular Properties

• Compound Name: N-[3-[3-[3-(2-ethylpyrazol-3-yl)phenyl]-1,2,4-oxadiazol-5-yl]phenyl]furan-2-carboxamide
• PubChem CID: 53138548
• Molecular Formula: C24H19N5O3
• Molecular Weight: 425.45 g/mol
• Exact Mass: 425.15
• IUPAC Name: N-[3-[3-[3-(2-ethylpyrazol-3-yl)phenyl]-1,2,4-oxadiazol-5-yl]phenyl]furan-2-carboxamide
• SMILES: CCn1nccc1-c1cccc(-c2noc(-c3cccc(NC(=O)c4ccco4)c3)n2)c1
• InChI: InChI=1S/C24H19N5O3/c1-2-29-20(11-12-25-29)16-6-3-7-17(14-16)22-27-24(32-28-22)18-8-4-9-19(15-18)26-23(30)21-10-5-13-31-21/h3-15H,2H2,1H3,(H,26,30)
• InChIKey: QFDOROGWGKRFBG-UHFFFAOYSA-N
• XLogP: 5.13
• TPSA: 98.98 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	425.45
LogP ≤ 5	5.13
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of N-[3-[3-[3-(2-ethylpyrazol-3-yl)phenyl]-1,2,4-oxadiazol-5-yl]phenyl]furan-2-carboxamide (CID 53138548) is N-[3-[3-[3-(2-ethylpyrazol-3-yl)phenyl]-1,2,4-oxadiazol-5-yl]phenyl]furan-2-carboxamide.

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

The canonical SMILES for N-[3-[3-[3-(2-ethylpyrazol-3-yl)phenyl]-1,2,4-oxadiazol-5-yl]phenyl]furan-2-carboxamide is CCn1nccc1-c1cccc(-c2noc(-c3cccc(NC(=O)c4ccco4)c3)n2)c1.

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

The InChIKey is QFDOROGWGKRFBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19N5O3/c1-2-29-20(11-12-25-29)16-6-3-7-17(14-16)22-27-24(32-28-22)18-8-4-9-19(15-18)26-23(30)21-10-5-13-31-21/h3-15H,2H2,1H3,(H,26,30).

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

N-[3-[3-[3-(2-ethylpyrazol-3-yl)phenyl]-1,2,4-oxadiazol-5-yl]phenyl]furan-2-carboxamide has a molecular weight of 425.45 g/mol, XLogP of 5.13, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-[3-[3-(2-ethylpyrazol-3-yl)phenyl]-1,2,4-oxadiazol-5-yl]phenyl]furan-2-carboxamide is sourced from PubChem (CID 53138548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).