N-[2-(dimethylamino)ethyl]-2-[[2-(1H-indol-3-yl)ethyl-[(3-methylthiophen-2-yl)methyl]amino]methyl]-1,3-oxazole-4-carboxamide

C25H31N5O2S — CID 42833751

About N-[2-(dimethylamino)ethyl]-2-[[2-(1H-indol-3-yl)ethyl-[(3-methylthiophen-2-yl)methyl]amino]methyl]-1,3-oxazole-4-carboxamide

N-[2-(dimethylamino)ethyl]-2-[[2-(1H-indol-3-yl)ethyl-[(3-methylthiophen-2-yl)methyl]amino]methyl]-1,3-oxazole-4-carboxamide (PubChem CID 42833751) has the molecular formula C25H31N5O2S and a molecular weight of 465.62 g/mol. Its IUPAC name is N-[2-(dimethylamino)ethyl]-2-[[2-(1H-indol-3-yl)ethyl-[(3-methylthiophen-2-yl)methyl]amino]methyl]-1,3-oxazole-4-carboxamide.

Molecular Properties

• Compound Name: N-[2-(dimethylamino)ethyl]-2-[[2-(1H-indol-3-yl)ethyl-[(3-methylthiophen-2-yl)methyl]amino]methyl]-1,3-oxazole-4-carboxamide
• PubChem CID: 42833751
• Molecular Formula: C25H31N5O2S
• Molecular Weight: 465.62 g/mol
• Exact Mass: 465.22
• IUPAC Name: N-[2-(dimethylamino)ethyl]-2-[[2-(1H-indol-3-yl)ethyl-[(3-methylthiophen-2-yl)methyl]amino]methyl]-1,3-oxazole-4-carboxamide
• SMILES: Cc1ccsc1CN(CCc1c[nH]c2ccccc12)Cc1nc(C(=O)NCCN(C)C)co1
• InChI: InChI=1S/C25H31N5O2S/c1-18-9-13-33-23(18)15-30(11-8-19-14-27-21-7-5-4-6-20(19)21)16-24-28-22(17-32-24)25(31)26-10-12-29(2)3/h4-7,9,13-14,17,27H,8,10-12,15-16H2,1-3H3,(H,26,31)
• InChIKey: VPRLGAKIFDFYEU-UHFFFAOYSA-N
• XLogP: 4.06
• TPSA: 77.40 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 11
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	465.62
LogP ≤ 5	4.06
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)ethyl]-2-[[2-(1H-indol-3-yl)ethyl-[(3-methylthiophen-2-yl)methyl]amino]methyl]-1,3-oxazole-4-carboxamide?

The IUPAC name of N-[2-(dimethylamino)ethyl]-2-[[2-(1H-indol-3-yl)ethyl-[(3-methylthiophen-2-yl)methyl]amino]methyl]-1,3-oxazole-4-carboxamide (CID 42833751) is N-[2-(dimethylamino)ethyl]-2-[[2-(1H-indol-3-yl)ethyl-[(3-methylthiophen-2-yl)methyl]amino]methyl]-1,3-oxazole-4-carboxamide.

What is the SMILES notation for N-[2-(dimethylamino)ethyl]-2-[[2-(1H-indol-3-yl)ethyl-[(3-methylthiophen-2-yl)methyl]amino]methyl]-1,3-oxazole-4-carboxamide?

The canonical SMILES for N-[2-(dimethylamino)ethyl]-2-[[2-(1H-indol-3-yl)ethyl-[(3-methylthiophen-2-yl)methyl]amino]methyl]-1,3-oxazole-4-carboxamide is Cc1ccsc1CN(CCc1c[nH]c2ccccc12)Cc1nc(C(=O)NCCN(C)C)co1.

What is the InChIKey of N-[2-(dimethylamino)ethyl]-2-[[2-(1H-indol-3-yl)ethyl-[(3-methylthiophen-2-yl)methyl]amino]methyl]-1,3-oxazole-4-carboxamide?

The InChIKey is VPRLGAKIFDFYEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31N5O2S/c1-18-9-13-33-23(18)15-30(11-8-19-14-27-21-7-5-4-6-20(19)21)16-24-28-22(17-32-24)25(31)26-10-12-29(2)3/h4-7,9,13-14,17,27H,8,10-12,15-16H2,1-3H3,(H,26,31).

What are the key properties of N-[2-(dimethylamino)ethyl]-2-[[2-(1H-indol-3-yl)ethyl-[(3-methylthiophen-2-yl)methyl]amino]methyl]-1,3-oxazole-4-carboxamide?

N-[2-(dimethylamino)ethyl]-2-[[2-(1H-indol-3-yl)ethyl-[(3-methylthiophen-2-yl)methyl]amino]methyl]-1,3-oxazole-4-carboxamide has a molecular weight of 465.62 g/mol, XLogP of 4.06, 11 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-(dimethylamino)ethyl]-2-[[2-(1H-indol-3-yl)ethyl-[(3-methylthiophen-2-yl)methyl]amino]methyl]-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 42833751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).