3-benzyl-2-oxo-N-propyl-5-[4-(thiophene-2-carbonylamino)phenyl]-1,3-oxazolidine-4-carboxamide

C25H25N3O4S — CID 42840582

About 3-benzyl-2-oxo-N-propyl-5-[4-(thiophene-2-carbonylamino)phenyl]-1,3-oxazolidine-4-carboxamide

3-benzyl-2-oxo-N-propyl-5-[4-(thiophene-2-carbonylamino)phenyl]-1,3-oxazolidine-4-carboxamide (PubChem CID 42840582) has the molecular formula C25H25N3O4S and a molecular weight of 463.56 g/mol. Its IUPAC name is 3-benzyl-2-oxo-N-propyl-5-[4-(thiophene-2-carbonylamino)phenyl]-1,3-oxazolidine-4-carboxamide.

Molecular Properties

• Compound Name: 3-benzyl-2-oxo-N-propyl-5-[4-(thiophene-2-carbonylamino)phenyl]-1,3-oxazolidine-4-carboxamide
• PubChem CID: 42840582
• Molecular Formula: C25H25N3O4S
• Molecular Weight: 463.56 g/mol
• Exact Mass: 463.16
• IUPAC Name: 3-benzyl-2-oxo-N-propyl-5-[4-(thiophene-2-carbonylamino)phenyl]-1,3-oxazolidine-4-carboxamide
• SMILES: CCCNC(=O)C1C(c2ccc(NC(=O)c3cccs3)cc2)OC(=O)N1Cc1ccccc1
• InChI: InChI=1S/C25H25N3O4S/c1-2-14-26-24(30)21-22(32-25(31)28(21)16-17-7-4-3-5-8-17)18-10-12-19(13-11-18)27-23(29)20-9-6-15-33-20/h3-13,15,21-22H,2,14,16H2,1H3,(H,26,30)(H,27,29)
• InChIKey: FOJBDWOEMPVTAV-UHFFFAOYSA-N
• XLogP: 4.59
• TPSA: 87.74 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 8
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	463.56
LogP ≤ 5	4.59
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 3-benzyl-2-oxo-N-propyl-5-[4-(thiophene-2-carbonylamino)phenyl]-1,3-oxazolidine-4-carboxamide?

The IUPAC name of 3-benzyl-2-oxo-N-propyl-5-[4-(thiophene-2-carbonylamino)phenyl]-1,3-oxazolidine-4-carboxamide (CID 42840582) is 3-benzyl-2-oxo-N-propyl-5-[4-(thiophene-2-carbonylamino)phenyl]-1,3-oxazolidine-4-carboxamide.

What is the SMILES notation for 3-benzyl-2-oxo-N-propyl-5-[4-(thiophene-2-carbonylamino)phenyl]-1,3-oxazolidine-4-carboxamide?

The canonical SMILES for 3-benzyl-2-oxo-N-propyl-5-[4-(thiophene-2-carbonylamino)phenyl]-1,3-oxazolidine-4-carboxamide is CCCNC(=O)C1C(c2ccc(NC(=O)c3cccs3)cc2)OC(=O)N1Cc1ccccc1.

What is the InChIKey of 3-benzyl-2-oxo-N-propyl-5-[4-(thiophene-2-carbonylamino)phenyl]-1,3-oxazolidine-4-carboxamide?

The InChIKey is FOJBDWOEMPVTAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N3O4S/c1-2-14-26-24(30)21-22(32-25(31)28(21)16-17-7-4-3-5-8-17)18-10-12-19(13-11-18)27-23(29)20-9-6-15-33-20/h3-13,15,21-22H,2,14,16H2,1H3,(H,26,30)(H,27,29).

What are the key properties of 3-benzyl-2-oxo-N-propyl-5-[4-(thiophene-2-carbonylamino)phenyl]-1,3-oxazolidine-4-carboxamide?

3-benzyl-2-oxo-N-propyl-5-[4-(thiophene-2-carbonylamino)phenyl]-1,3-oxazolidine-4-carboxamide has a molecular weight of 463.56 g/mol, XLogP of 4.59, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 3-benzyl-2-oxo-N-propyl-5-[4-(thiophene-2-carbonylamino)phenyl]-1,3-oxazolidine-4-carboxamide is sourced from PubChem (CID 42840582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).