N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-5-[4-(2-methylpropoxy)phenyl]-1,2-oxazole-3-carboxamide

C22H27N3O3S — CID 17016175

About N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-5-[4-(2-methylpropoxy)phenyl]-1,2-oxazole-3-carboxamide

N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-5-[4-(2-methylpropoxy)phenyl]-1,2-oxazole-3-carboxamide (PubChem CID 17016175) has the molecular formula C22H27N3O3S and a molecular weight of 413.54 g/mol. Its IUPAC name is N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-5-[4-(2-methylpropoxy)phenyl]-1,2-oxazole-3-carboxamide.

Molecular Properties

• Compound Name: N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-5-[4-(2-methylpropoxy)phenyl]-1,2-oxazole-3-carboxamide
• PubChem CID: 17016175
• Molecular Formula: C22H27N3O3S
• Molecular Weight: 413.54 g/mol
• Exact Mass: 413.18
• IUPAC Name: N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-5-[4-(2-methylpropoxy)phenyl]-1,2-oxazole-3-carboxamide
• SMILES: CC(C)COc1ccc(-c2cc(C(=O)NCC(c3cccs3)N(C)C)no2)cc1
• InChI: InChI=1S/C22H27N3O3S/c1-15(2)14-27-17-9-7-16(8-10-17)20-12-18(24-28-20)22(26)23-13-19(25(3)4)21-6-5-11-29-21/h5-12,15,19H,13-14H2,1-4H3,(H,23,26)
• InChIKey: DNOKPAFNFHZFDB-UHFFFAOYSA-N
• XLogP: 4.47
• TPSA: 67.60 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 9
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	413.54
LogP ≤ 5	4.47
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-5-[4-(2-methylpropoxy)phenyl]-1,2-oxazole-3-carboxamide?

The IUPAC name of N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-5-[4-(2-methylpropoxy)phenyl]-1,2-oxazole-3-carboxamide (CID 17016175) is N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-5-[4-(2-methylpropoxy)phenyl]-1,2-oxazole-3-carboxamide.

What is the SMILES notation for N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-5-[4-(2-methylpropoxy)phenyl]-1,2-oxazole-3-carboxamide?

The canonical SMILES for N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-5-[4-(2-methylpropoxy)phenyl]-1,2-oxazole-3-carboxamide is CC(C)COc1ccc(-c2cc(C(=O)NCC(c3cccs3)N(C)C)no2)cc1.

What is the InChIKey of N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-5-[4-(2-methylpropoxy)phenyl]-1,2-oxazole-3-carboxamide?

The InChIKey is DNOKPAFNFHZFDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O3S/c1-15(2)14-27-17-9-7-16(8-10-17)20-12-18(24-28-20)22(26)23-13-19(25(3)4)21-6-5-11-29-21/h5-12,15,19H,13-14H2,1-4H3,(H,23,26).

What are the key properties of N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-5-[4-(2-methylpropoxy)phenyl]-1,2-oxazole-3-carboxamide?

N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-5-[4-(2-methylpropoxy)phenyl]-1,2-oxazole-3-carboxamide has a molecular weight of 413.54 g/mol, XLogP of 4.47, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-5-[4-(2-methylpropoxy)phenyl]-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 17016175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).