N-(5-methyl-1,2-oxazol-3-yl)-2-[(4-methyl-1,3-thiazol-5-yl)methyl-(pyrrolidin-3-ylmethyl)amino]acetamide

C16H23N5O2S — CID 128993295

About N-(5-methyl-1,2-oxazol-3-yl)-2-[(4-methyl-1,3-thiazol-5-yl)methyl-(pyrrolidin-3-ylmethyl)amino]acetamide

N-(5-methyl-1,2-oxazol-3-yl)-2-[(4-methyl-1,3-thiazol-5-yl)methyl-(pyrrolidin-3-ylmethyl)amino]acetamide (PubChem CID 128993295) has the molecular formula C16H23N5O2S and a molecular weight of 349.46 g/mol. Its IUPAC name is N-(5-methyl-1,2-oxazol-3-yl)-2-[(4-methyl-1,3-thiazol-5-yl)methyl-(pyrrolidin-3-ylmethyl)amino]acetamide.

Molecular Properties

• Compound Name: N-(5-methyl-1,2-oxazol-3-yl)-2-[(4-methyl-1,3-thiazol-5-yl)methyl-(pyrrolidin-3-ylmethyl)amino]acetamide
• PubChem CID: 128993295
• Molecular Formula: C16H23N5O2S
• Molecular Weight: 349.46 g/mol
• Exact Mass: 349.16
• IUPAC Name: N-(5-methyl-1,2-oxazol-3-yl)-2-[(4-methyl-1,3-thiazol-5-yl)methyl-(pyrrolidin-3-ylmethyl)amino]acetamide
• SMILES: Cc1cc(NC(=O)CN(Cc2scnc2C)CC2CCNC2)no1
• InChI: InChI=1S/C16H23N5O2S/c1-11-5-15(20-23-11)19-16(22)9-21(7-13-3-4-17-6-13)8-14-12(2)18-10-24-14/h5,10,13,17H,3-4,6-9H2,1-2H3,(H,19,20,22)
• InChIKey: VLFXAEYPTHBOSV-UHFFFAOYSA-N
• XLogP: 1.80
• TPSA: 83.29 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 24
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	349.46
LogP ≤ 5	1.80
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-(5-methyl-1,2-oxazol-3-yl)-2-[(4-methyl-1,3-thiazol-5-yl)methyl-(pyrrolidin-3-ylmethyl)amino]acetamide?

The IUPAC name of N-(5-methyl-1,2-oxazol-3-yl)-2-[(4-methyl-1,3-thiazol-5-yl)methyl-(pyrrolidin-3-ylmethyl)amino]acetamide (CID 128993295) is N-(5-methyl-1,2-oxazol-3-yl)-2-[(4-methyl-1,3-thiazol-5-yl)methyl-(pyrrolidin-3-ylmethyl)amino]acetamide.

What is the SMILES notation for N-(5-methyl-1,2-oxazol-3-yl)-2-[(4-methyl-1,3-thiazol-5-yl)methyl-(pyrrolidin-3-ylmethyl)amino]acetamide?

The canonical SMILES for N-(5-methyl-1,2-oxazol-3-yl)-2-[(4-methyl-1,3-thiazol-5-yl)methyl-(pyrrolidin-3-ylmethyl)amino]acetamide is Cc1cc(NC(=O)CN(Cc2scnc2C)CC2CCNC2)no1.

What is the InChIKey of N-(5-methyl-1,2-oxazol-3-yl)-2-[(4-methyl-1,3-thiazol-5-yl)methyl-(pyrrolidin-3-ylmethyl)amino]acetamide?

The InChIKey is VLFXAEYPTHBOSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N5O2S/c1-11-5-15(20-23-11)19-16(22)9-21(7-13-3-4-17-6-13)8-14-12(2)18-10-24-14/h5,10,13,17H,3-4,6-9H2,1-2H3,(H,19,20,22).

What are the key properties of N-(5-methyl-1,2-oxazol-3-yl)-2-[(4-methyl-1,3-thiazol-5-yl)methyl-(pyrrolidin-3-ylmethyl)amino]acetamide?

N-(5-methyl-1,2-oxazol-3-yl)-2-[(4-methyl-1,3-thiazol-5-yl)methyl-(pyrrolidin-3-ylmethyl)amino]acetamide has a molecular weight of 349.46 g/mol, XLogP of 1.80, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-(5-methyl-1,2-oxazol-3-yl)-2-[(4-methyl-1,3-thiazol-5-yl)methyl-(pyrrolidin-3-ylmethyl)amino]acetamide is sourced from PubChem (CID 128993295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).