N-[5-fluoro-2-[4-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]piperazine-1-carbonyl]phenyl]furan-3-carboxamide

C21H22FN5O5 — CID 86803317

About N-[5-fluoro-2-[4-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]piperazine-1-carbonyl]phenyl]furan-3-carboxamide

N-[5-fluoro-2-[4-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]piperazine-1-carbonyl]phenyl]furan-3-carboxamide (PubChem CID 86803317) has the molecular formula C21H22FN5O5 and a molecular weight of 443.44 g/mol. Its IUPAC name is N-[5-fluoro-2-[4-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]piperazine-1-carbonyl]phenyl]furan-3-carboxamide.

Molecular Properties

• Compound Name: N-[5-fluoro-2-[4-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]piperazine-1-carbonyl]phenyl]furan-3-carboxamide
• PubChem CID: 86803317
• Molecular Formula: C21H22FN5O5
• Molecular Weight: 443.44 g/mol
• Exact Mass: 443.16
• IUPAC Name: N-[5-fluoro-2-[4-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]piperazine-1-carbonyl]phenyl]furan-3-carboxamide
• SMILES: COCc1noc(CN2CCN(C(=O)c3ccc(F)cc3NC(=O)c3ccoc3)CC2)n1
• InChI: InChI=1S/C21H22FN5O5/c1-30-13-18-24-19(32-25-18)11-26-5-7-27(8-6-26)21(29)16-3-2-15(22)10-17(16)23-20(28)14-4-9-31-12-14/h2-4,9-10,12H,5-8,11,13H2,1H3,(H,23,28)
• InChIKey: GQPWJLQZSRNQME-UHFFFAOYSA-N
• XLogP: 2.16
• TPSA: 113.94 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 7
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	443.44
LogP ≤ 5	2.16
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

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

The IUPAC name of N-[5-fluoro-2-[4-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]piperazine-1-carbonyl]phenyl]furan-3-carboxamide (CID 86803317) is N-[5-fluoro-2-[4-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]piperazine-1-carbonyl]phenyl]furan-3-carboxamide.

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

The canonical SMILES for N-[5-fluoro-2-[4-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]piperazine-1-carbonyl]phenyl]furan-3-carboxamide is COCc1noc(CN2CCN(C(=O)c3ccc(F)cc3NC(=O)c3ccoc3)CC2)n1.

What is the InChIKey of N-[5-fluoro-2-[4-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]piperazine-1-carbonyl]phenyl]furan-3-carboxamide?

The InChIKey is GQPWJLQZSRNQME-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22FN5O5/c1-30-13-18-24-19(32-25-18)11-26-5-7-27(8-6-26)21(29)16-3-2-15(22)10-17(16)23-20(28)14-4-9-31-12-14/h2-4,9-10,12H,5-8,11,13H2,1H3,(H,23,28).

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

N-[5-fluoro-2-[4-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]piperazine-1-carbonyl]phenyl]furan-3-carboxamide has a molecular weight of 443.44 g/mol, XLogP of 2.16, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-[5-fluoro-2-[4-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]piperazine-1-carbonyl]phenyl]furan-3-carboxamide is sourced from PubChem (CID 86803317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).