N-[(1R)-1-[3-(2-oxopyrrolidin-1-yl)phenyl]ethyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide

C20H19N3O3S — CID 95243126

About N-[(1R)-1-[3-(2-oxopyrrolidin-1-yl)phenyl]ethyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide

N-[(1R)-1-[3-(2-oxopyrrolidin-1-yl)phenyl]ethyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide (PubChem CID 95243126) has the molecular formula C20H19N3O3S and a molecular weight of 381.46 g/mol. Its IUPAC name is N-[(1R)-1-[3-(2-oxopyrrolidin-1-yl)phenyl]ethyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide.

Molecular Properties

• Compound Name: N-[(1R)-1-[3-(2-oxopyrrolidin-1-yl)phenyl]ethyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide
• PubChem CID: 95243126
• Molecular Formula: C20H19N3O3S
• Molecular Weight: 381.46 g/mol
• Exact Mass: 381.11
• IUPAC Name: N-[(1R)-1-[3-(2-oxopyrrolidin-1-yl)phenyl]ethyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide
• SMILES: C[C@@H](NC(=O)c1cc(-c2cccs2)on1)c1cccc(N2CCCC2=O)c1
• InChI: InChI=1S/C20H19N3O3S/c1-13(14-5-2-6-15(11-14)23-9-3-8-19(23)24)21-20(25)16-12-17(26-22-16)18-7-4-10-27-18/h2,4-7,10-13H,3,8-9H2,1H3,(H,21,25)/t13-/m1/s1
• InChIKey: OILZEPZSXCROQI-CYBMUJFWSA-N
• XLogP: 4.02
• TPSA: 75.44 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	381.46
LogP ≤ 5	4.02
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-[3-(2-oxopyrrolidin-1-yl)phenyl]ethyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide?

The IUPAC name of N-[(1R)-1-[3-(2-oxopyrrolidin-1-yl)phenyl]ethyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide (CID 95243126) is N-[(1R)-1-[3-(2-oxopyrrolidin-1-yl)phenyl]ethyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide.

What is the SMILES notation for N-[(1R)-1-[3-(2-oxopyrrolidin-1-yl)phenyl]ethyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide?

The canonical SMILES for N-[(1R)-1-[3-(2-oxopyrrolidin-1-yl)phenyl]ethyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide is C[C@@H](NC(=O)c1cc(-c2cccs2)on1)c1cccc(N2CCCC2=O)c1.

What is the InChIKey of N-[(1R)-1-[3-(2-oxopyrrolidin-1-yl)phenyl]ethyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide?

The InChIKey is OILZEPZSXCROQI-CYBMUJFWSA-N. The full InChI is InChI=1S/C20H19N3O3S/c1-13(14-5-2-6-15(11-14)23-9-3-8-19(23)24)21-20(25)16-12-17(26-22-16)18-7-4-10-27-18/h2,4-7,10-13H,3,8-9H2,1H3,(H,21,25)/t13-/m1/s1.

What are the key properties of N-[(1R)-1-[3-(2-oxopyrrolidin-1-yl)phenyl]ethyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide?

N-[(1R)-1-[3-(2-oxopyrrolidin-1-yl)phenyl]ethyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide has a molecular weight of 381.46 g/mol, XLogP of 4.02, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(1R)-1-[3-(2-oxopyrrolidin-1-yl)phenyl]ethyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 95243126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).