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

C25H25N5O4S — CID 43065028

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

N-[4-methyl-5-[4-[1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]piperazine-1-carbonyl]thiophen-2-yl]furan-2-carboxamide (PubChem CID 43065028) has the molecular formula C25H25N5O4S and a molecular weight of 491.57 g/mol. Its IUPAC name is N-[4-methyl-5-[4-[1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]piperazine-1-carbonyl]thiophen-2-yl]furan-2-carboxamide.

Molecular Properties

• Compound Name: N-[4-methyl-5-[4-[1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]piperazine-1-carbonyl]thiophen-2-yl]furan-2-carboxamide
• PubChem CID: 43065028
• Molecular Formula: C25H25N5O4S
• Molecular Weight: 491.57 g/mol
• Exact Mass: 491.16
• IUPAC Name: N-[4-methyl-5-[4-[1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]piperazine-1-carbonyl]thiophen-2-yl]furan-2-carboxamide
• SMILES: Cc1cc(NC(=O)c2ccco2)sc1C(=O)N1CCN(C(C)c2nc(-c3ccccc3)no2)CC1
• InChI: InChI=1S/C25H25N5O4S/c1-16-15-20(26-23(31)19-9-6-14-33-19)35-21(16)25(32)30-12-10-29(11-13-30)17(2)24-27-22(28-34-24)18-7-4-3-5-8-18/h3-9,14-15,17H,10-13H2,1-2H3,(H,26,31)
• InChIKey: NQFAMADZRWCTSS-UHFFFAOYSA-N
• XLogP: 4.47
• TPSA: 104.71 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	491.57
LogP ≤ 5	4.47
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

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

The IUPAC name of N-[4-methyl-5-[4-[1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]piperazine-1-carbonyl]thiophen-2-yl]furan-2-carboxamide (CID 43065028) is N-[4-methyl-5-[4-[1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]piperazine-1-carbonyl]thiophen-2-yl]furan-2-carboxamide.

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

The canonical SMILES for N-[4-methyl-5-[4-[1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]piperazine-1-carbonyl]thiophen-2-yl]furan-2-carboxamide is Cc1cc(NC(=O)c2ccco2)sc1C(=O)N1CCN(C(C)c2nc(-c3ccccc3)no2)CC1.

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

The InChIKey is NQFAMADZRWCTSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N5O4S/c1-16-15-20(26-23(31)19-9-6-14-33-19)35-21(16)25(32)30-12-10-29(11-13-30)17(2)24-27-22(28-34-24)18-7-4-3-5-8-18/h3-9,14-15,17H,10-13H2,1-2H3,(H,26,31).

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

N-[4-methyl-5-[4-[1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]piperazine-1-carbonyl]thiophen-2-yl]furan-2-carboxamide has a molecular weight of 491.57 g/mol, XLogP of 4.47, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-methyl-5-[4-[1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]piperazine-1-carbonyl]thiophen-2-yl]furan-2-carboxamide is sourced from PubChem (CID 43065028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).