2-[(2S)-1-(furan-3-ylmethyl)-3-oxopiperazin-2-yl]-N-methyl-N-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]acetamide

C18H25N5O4 — CID 95715172

About 2-[(2S)-1-(furan-3-ylmethyl)-3-oxopiperazin-2-yl]-N-methyl-N-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]acetamide

2-[(2S)-1-(furan-3-ylmethyl)-3-oxopiperazin-2-yl]-N-methyl-N-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]acetamide (PubChem CID 95715172) has the molecular formula C18H25N5O4 and a molecular weight of 375.43 g/mol. Its IUPAC name is 2-[(2S)-1-(furan-3-ylmethyl)-3-oxopiperazin-2-yl]-N-methyl-N-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]acetamide.

Molecular Properties

• Compound Name: 2-[(2S)-1-(furan-3-ylmethyl)-3-oxopiperazin-2-yl]-N-methyl-N-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]acetamide
• PubChem CID: 95715172
• Molecular Formula: C18H25N5O4
• Molecular Weight: 375.43 g/mol
• Exact Mass: 375.19
• IUPAC Name: 2-[(2S)-1-(furan-3-ylmethyl)-3-oxopiperazin-2-yl]-N-methyl-N-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]acetamide
• SMILES: CC(C)c1noc(CN(C)C(=O)C[C@H]2C(=O)NCCN2Cc2ccoc2)n1
• InChI: InChI=1S/C18H25N5O4/c1-12(2)17-20-15(27-21-17)10-22(3)16(24)8-14-18(25)19-5-6-23(14)9-13-4-7-26-11-13/h4,7,11-12,14H,5-6,8-10H2,1-3H3,(H,19,25)/t14-/m0/s1
• InChIKey: VYONWNBMAXJUDN-AWEZNQCLSA-N
• XLogP: 1.14
• TPSA: 104.71 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	375.43
LogP ≤ 5	1.14
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 2-[(2S)-1-(furan-3-ylmethyl)-3-oxopiperazin-2-yl]-N-methyl-N-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]acetamide?

The IUPAC name of 2-[(2S)-1-(furan-3-ylmethyl)-3-oxopiperazin-2-yl]-N-methyl-N-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]acetamide (CID 95715172) is 2-[(2S)-1-(furan-3-ylmethyl)-3-oxopiperazin-2-yl]-N-methyl-N-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]acetamide.

What is the SMILES notation for 2-[(2S)-1-(furan-3-ylmethyl)-3-oxopiperazin-2-yl]-N-methyl-N-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]acetamide?

The canonical SMILES for 2-[(2S)-1-(furan-3-ylmethyl)-3-oxopiperazin-2-yl]-N-methyl-N-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]acetamide is CC(C)c1noc(CN(C)C(=O)C[C@H]2C(=O)NCCN2Cc2ccoc2)n1.

What is the InChIKey of 2-[(2S)-1-(furan-3-ylmethyl)-3-oxopiperazin-2-yl]-N-methyl-N-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]acetamide?

The InChIKey is VYONWNBMAXJUDN-AWEZNQCLSA-N. The full InChI is InChI=1S/C18H25N5O4/c1-12(2)17-20-15(27-21-17)10-22(3)16(24)8-14-18(25)19-5-6-23(14)9-13-4-7-26-11-13/h4,7,11-12,14H,5-6,8-10H2,1-3H3,(H,19,25)/t14-/m0/s1.

What are the key properties of 2-[(2S)-1-(furan-3-ylmethyl)-3-oxopiperazin-2-yl]-N-methyl-N-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]acetamide?

2-[(2S)-1-(furan-3-ylmethyl)-3-oxopiperazin-2-yl]-N-methyl-N-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]acetamide has a molecular weight of 375.43 g/mol, XLogP of 1.14, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[(2S)-1-(furan-3-ylmethyl)-3-oxopiperazin-2-yl]-N-methyl-N-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]acetamide is sourced from PubChem (CID 95715172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).