2-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]sulfanyl-N-[2-[4-(3-methylphenyl)piperazin-1-yl]ethyl]acetamide

C21H29N5O3S — CID 43067045

About 2-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]sulfanyl-N-[2-[4-(3-methylphenyl)piperazin-1-yl]ethyl]acetamide

2-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]sulfanyl-N-[2-[4-(3-methylphenyl)piperazin-1-yl]ethyl]acetamide (PubChem CID 43067045) has the molecular formula C21H29N5O3S and a molecular weight of 431.56 g/mol. Its IUPAC name is 2-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]sulfanyl-N-[2-[4-(3-methylphenyl)piperazin-1-yl]ethyl]acetamide.

Molecular Properties

• Compound Name: 2-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]sulfanyl-N-[2-[4-(3-methylphenyl)piperazin-1-yl]ethyl]acetamide
• PubChem CID: 43067045
• Molecular Formula: C21H29N5O3S
• Molecular Weight: 431.56 g/mol
• Exact Mass: 431.20
• IUPAC Name: 2-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]sulfanyl-N-[2-[4-(3-methylphenyl)piperazin-1-yl]ethyl]acetamide
• SMILES: Cc1cccc(N2CCN(CCNC(=O)CSCC(=O)Nc3cc(C)on3)CC2)c1
• InChI: InChI=1S/C21H29N5O3S/c1-16-4-3-5-18(12-16)26-10-8-25(9-11-26)7-6-22-20(27)14-30-15-21(28)23-19-13-17(2)29-24-19/h3-5,12-13H,6-11,14-15H2,1-2H3,(H,22,27)(H,23,24,28)
• InChIKey: OSKRIRBQGMWZET-UHFFFAOYSA-N
• XLogP: 1.90
• TPSA: 90.71 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 9
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	431.56
LogP ≤ 5	1.90
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]sulfanyl-N-[2-[4-(3-methylphenyl)piperazin-1-yl]ethyl]acetamide?

The IUPAC name of 2-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]sulfanyl-N-[2-[4-(3-methylphenyl)piperazin-1-yl]ethyl]acetamide (CID 43067045) is 2-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]sulfanyl-N-[2-[4-(3-methylphenyl)piperazin-1-yl]ethyl]acetamide.

What is the SMILES notation for 2-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]sulfanyl-N-[2-[4-(3-methylphenyl)piperazin-1-yl]ethyl]acetamide?

The canonical SMILES for 2-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]sulfanyl-N-[2-[4-(3-methylphenyl)piperazin-1-yl]ethyl]acetamide is Cc1cccc(N2CCN(CCNC(=O)CSCC(=O)Nc3cc(C)on3)CC2)c1.

What is the InChIKey of 2-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]sulfanyl-N-[2-[4-(3-methylphenyl)piperazin-1-yl]ethyl]acetamide?

The InChIKey is OSKRIRBQGMWZET-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N5O3S/c1-16-4-3-5-18(12-16)26-10-8-25(9-11-26)7-6-22-20(27)14-30-15-21(28)23-19-13-17(2)29-24-19/h3-5,12-13H,6-11,14-15H2,1-2H3,(H,22,27)(H,23,24,28).

What are the key properties of 2-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]sulfanyl-N-[2-[4-(3-methylphenyl)piperazin-1-yl]ethyl]acetamide?

2-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]sulfanyl-N-[2-[4-(3-methylphenyl)piperazin-1-yl]ethyl]acetamide has a molecular weight of 431.56 g/mol, XLogP of 1.90, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]sulfanyl-N-[2-[4-(3-methylphenyl)piperazin-1-yl]ethyl]acetamide is sourced from PubChem (CID 43067045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).