N-[(3S,4R)-4-(5-methylfuran-2-yl)-1-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]pyrrolidin-3-yl]acetamide

C20H23N3O3S — CID 72903391

About N-[(3S,4R)-4-(5-methylfuran-2-yl)-1-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]pyrrolidin-3-yl]acetamide

N-[(3S,4R)-4-(5-methylfuran-2-yl)-1-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]pyrrolidin-3-yl]acetamide (PubChem CID 72903391) has the molecular formula C20H23N3O3S and a molecular weight of 385.49 g/mol. Its IUPAC name is N-[(3S,4R)-4-(5-methylfuran-2-yl)-1-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]pyrrolidin-3-yl]acetamide.

Molecular Properties

• Compound Name: N-[(3S,4R)-4-(5-methylfuran-2-yl)-1-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]pyrrolidin-3-yl]acetamide
• PubChem CID: 72903391
• Molecular Formula: C20H23N3O3S
• Molecular Weight: 385.49 g/mol
• Exact Mass: 385.15
• IUPAC Name: N-[(3S,4R)-4-(5-methylfuran-2-yl)-1-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]pyrrolidin-3-yl]acetamide
• SMILES: CC(=O)N[C@@H]1CN(Cc2nc(-c3cccs3)oc2C)C[C@H]1c1ccc(C)o1
• InChI: InChI=1S/C20H23N3O3S/c1-12-6-7-18(25-12)15-9-23(11-17(15)21-14(3)24)10-16-13(2)26-20(22-16)19-5-4-8-27-19/h4-8,15,17H,9-11H2,1-3H3,(H,21,24)/t15-,17-/m1/s1
• InChIKey: POGXRVAODQMGCW-NVXWUHKLSA-N
• XLogP: 3.72
• TPSA: 71.51 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	385.49
LogP ≤ 5	3.72
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-[(3S,4R)-4-(5-methylfuran-2-yl)-1-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]pyrrolidin-3-yl]acetamide?

The IUPAC name of N-[(3S,4R)-4-(5-methylfuran-2-yl)-1-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]pyrrolidin-3-yl]acetamide (CID 72903391) is N-[(3S,4R)-4-(5-methylfuran-2-yl)-1-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]pyrrolidin-3-yl]acetamide.

What is the SMILES notation for N-[(3S,4R)-4-(5-methylfuran-2-yl)-1-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]pyrrolidin-3-yl]acetamide?

The canonical SMILES for N-[(3S,4R)-4-(5-methylfuran-2-yl)-1-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]pyrrolidin-3-yl]acetamide is CC(=O)N[C@@H]1CN(Cc2nc(-c3cccs3)oc2C)C[C@H]1c1ccc(C)o1.

What is the InChIKey of N-[(3S,4R)-4-(5-methylfuran-2-yl)-1-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]pyrrolidin-3-yl]acetamide?

The InChIKey is POGXRVAODQMGCW-NVXWUHKLSA-N. The full InChI is InChI=1S/C20H23N3O3S/c1-12-6-7-18(25-12)15-9-23(11-17(15)21-14(3)24)10-16-13(2)26-20(22-16)19-5-4-8-27-19/h4-8,15,17H,9-11H2,1-3H3,(H,21,24)/t15-,17-/m1/s1.

What are the key properties of N-[(3S,4R)-4-(5-methylfuran-2-yl)-1-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]pyrrolidin-3-yl]acetamide?

N-[(3S,4R)-4-(5-methylfuran-2-yl)-1-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]pyrrolidin-3-yl]acetamide has a molecular weight of 385.49 g/mol, XLogP of 3.72, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(3S,4R)-4-(5-methylfuran-2-yl)-1-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]pyrrolidin-3-yl]acetamide is sourced from PubChem (CID 72903391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).