5-methyl-N-[5-(5-oxo-1-phenylpyrrolidin-3-yl)-1,3,4-thiadiazol-2-yl]-3-phenyl-1,2-oxazole-4-carboxamide

C23H19N5O3S — CID 17203654

About 5-methyl-N-[5-(5-oxo-1-phenylpyrrolidin-3-yl)-1,3,4-thiadiazol-2-yl]-3-phenyl-1,2-oxazole-4-carboxamide

5-methyl-N-[5-(5-oxo-1-phenylpyrrolidin-3-yl)-1,3,4-thiadiazol-2-yl]-3-phenyl-1,2-oxazole-4-carboxamide (PubChem CID 17203654) has the molecular formula C23H19N5O3S and a molecular weight of 445.50 g/mol. Its IUPAC name is 5-methyl-N-[5-(5-oxo-1-phenylpyrrolidin-3-yl)-1,3,4-thiadiazol-2-yl]-3-phenyl-1,2-oxazole-4-carboxamide.

Molecular Properties

• Compound Name: 5-methyl-N-[5-(5-oxo-1-phenylpyrrolidin-3-yl)-1,3,4-thiadiazol-2-yl]-3-phenyl-1,2-oxazole-4-carboxamide
• PubChem CID: 17203654
• Molecular Formula: C23H19N5O3S
• Molecular Weight: 445.50 g/mol
• Exact Mass: 445.12
• IUPAC Name: 5-methyl-N-[5-(5-oxo-1-phenylpyrrolidin-3-yl)-1,3,4-thiadiazol-2-yl]-3-phenyl-1,2-oxazole-4-carboxamide
• SMILES: Cc1onc(-c2ccccc2)c1C(=O)Nc1nnc(C2CC(=O)N(c3ccccc3)C2)s1
• InChI: InChI=1S/C23H19N5O3S/c1-14-19(20(27-31-14)15-8-4-2-5-9-15)21(30)24-23-26-25-22(32-23)16-12-18(29)28(13-16)17-10-6-3-7-11-17/h2-11,16H,12-13H2,1H3,(H,24,26,30)
• InChIKey: PJTPGSKBESAVLH-UHFFFAOYSA-N
• XLogP: 4.27
• TPSA: 101.22 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	445.50
LogP ≤ 5	4.27
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-[5-(5-oxo-1-phenylpyrrolidin-3-yl)-1,3,4-thiadiazol-2-yl]-3-phenyl-1,2-oxazole-4-carboxamide?

The IUPAC name of 5-methyl-N-[5-(5-oxo-1-phenylpyrrolidin-3-yl)-1,3,4-thiadiazol-2-yl]-3-phenyl-1,2-oxazole-4-carboxamide (CID 17203654) is 5-methyl-N-[5-(5-oxo-1-phenylpyrrolidin-3-yl)-1,3,4-thiadiazol-2-yl]-3-phenyl-1,2-oxazole-4-carboxamide.

What is the SMILES notation for 5-methyl-N-[5-(5-oxo-1-phenylpyrrolidin-3-yl)-1,3,4-thiadiazol-2-yl]-3-phenyl-1,2-oxazole-4-carboxamide?

The canonical SMILES for 5-methyl-N-[5-(5-oxo-1-phenylpyrrolidin-3-yl)-1,3,4-thiadiazol-2-yl]-3-phenyl-1,2-oxazole-4-carboxamide is Cc1onc(-c2ccccc2)c1C(=O)Nc1nnc(C2CC(=O)N(c3ccccc3)C2)s1.

What is the InChIKey of 5-methyl-N-[5-(5-oxo-1-phenylpyrrolidin-3-yl)-1,3,4-thiadiazol-2-yl]-3-phenyl-1,2-oxazole-4-carboxamide?

The InChIKey is PJTPGSKBESAVLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19N5O3S/c1-14-19(20(27-31-14)15-8-4-2-5-9-15)21(30)24-23-26-25-22(32-23)16-12-18(29)28(13-16)17-10-6-3-7-11-17/h2-11,16H,12-13H2,1H3,(H,24,26,30).

What are the key properties of 5-methyl-N-[5-(5-oxo-1-phenylpyrrolidin-3-yl)-1,3,4-thiadiazol-2-yl]-3-phenyl-1,2-oxazole-4-carboxamide?

5-methyl-N-[5-(5-oxo-1-phenylpyrrolidin-3-yl)-1,3,4-thiadiazol-2-yl]-3-phenyl-1,2-oxazole-4-carboxamide has a molecular weight of 445.50 g/mol, XLogP of 4.27, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 5-methyl-N-[5-(5-oxo-1-phenylpyrrolidin-3-yl)-1,3,4-thiadiazol-2-yl]-3-phenyl-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 17203654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).