N-[(S)-(2-methoxyphenyl)-(5-methyl-1,2,4-oxadiazol-3-yl)methyl]thiophene-3-carboxamide

C16H15N3O3S — CID 95380003

About N-[(S)-(2-methoxyphenyl)-(5-methyl-1,2,4-oxadiazol-3-yl)methyl]thiophene-3-carboxamide

N-[(S)-(2-methoxyphenyl)-(5-methyl-1,2,4-oxadiazol-3-yl)methyl]thiophene-3-carboxamide (PubChem CID 95380003) has the molecular formula C16H15N3O3S and a molecular weight of 329.38 g/mol. Its IUPAC name is N-[(S)-(2-methoxyphenyl)-(5-methyl-1,2,4-oxadiazol-3-yl)methyl]thiophene-3-carboxamide.

Molecular Properties

• Compound Name: N-[(S)-(2-methoxyphenyl)-(5-methyl-1,2,4-oxadiazol-3-yl)methyl]thiophene-3-carboxamide
• PubChem CID: 95380003
• Molecular Formula: C16H15N3O3S
• Molecular Weight: 329.38 g/mol
• Exact Mass: 329.08
• IUPAC Name: N-[(S)-(2-methoxyphenyl)-(5-methyl-1,2,4-oxadiazol-3-yl)methyl]thiophene-3-carboxamide
• SMILES: COc1ccccc1[C@H](NC(=O)c1ccsc1)c1noc(C)n1
• InChI: InChI=1S/C16H15N3O3S/c1-10-17-15(19-22-10)14(12-5-3-4-6-13(12)21-2)18-16(20)11-7-8-23-9-11/h3-9,14H,1-2H3,(H,18,20)/t14-/m0/s1
• InChIKey: NUUZBPUONYPRMK-AWEZNQCLSA-N
• XLogP: 2.97
• TPSA: 77.25 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 23
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	329.38
LogP ≤ 5	2.97
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-[(S)-(2-methoxyphenyl)-(5-methyl-1,2,4-oxadiazol-3-yl)methyl]thiophene-3-carboxamide?

The IUPAC name of N-[(S)-(2-methoxyphenyl)-(5-methyl-1,2,4-oxadiazol-3-yl)methyl]thiophene-3-carboxamide (CID 95380003) is N-[(S)-(2-methoxyphenyl)-(5-methyl-1,2,4-oxadiazol-3-yl)methyl]thiophene-3-carboxamide.

What is the SMILES notation for N-[(S)-(2-methoxyphenyl)-(5-methyl-1,2,4-oxadiazol-3-yl)methyl]thiophene-3-carboxamide?

The canonical SMILES for N-[(S)-(2-methoxyphenyl)-(5-methyl-1,2,4-oxadiazol-3-yl)methyl]thiophene-3-carboxamide is COc1ccccc1[C@H](NC(=O)c1ccsc1)c1noc(C)n1.

What is the InChIKey of N-[(S)-(2-methoxyphenyl)-(5-methyl-1,2,4-oxadiazol-3-yl)methyl]thiophene-3-carboxamide?

The InChIKey is NUUZBPUONYPRMK-AWEZNQCLSA-N. The full InChI is InChI=1S/C16H15N3O3S/c1-10-17-15(19-22-10)14(12-5-3-4-6-13(12)21-2)18-16(20)11-7-8-23-9-11/h3-9,14H,1-2H3,(H,18,20)/t14-/m0/s1.

What are the key properties of N-[(S)-(2-methoxyphenyl)-(5-methyl-1,2,4-oxadiazol-3-yl)methyl]thiophene-3-carboxamide?

N-[(S)-(2-methoxyphenyl)-(5-methyl-1,2,4-oxadiazol-3-yl)methyl]thiophene-3-carboxamide has a molecular weight of 329.38 g/mol, XLogP of 2.97, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(S)-(2-methoxyphenyl)-(5-methyl-1,2,4-oxadiazol-3-yl)methyl]thiophene-3-carboxamide is sourced from PubChem (CID 95380003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).