(2R)-N-tert-butyl-2-(furan-2-yl)-2-[[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]-[[(2S)-oxolan-2-yl]methyl]amino]acetamide

C23H30N6O5 — CID 25459256

About (2R)-N-tert-butyl-2-(furan-2-yl)-2-[[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]-[[(2S)-oxolan-2-yl]methyl]amino]acetamide

(2R)-N-tert-butyl-2-(furan-2-yl)-2-[[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]-[[(2S)-oxolan-2-yl]methyl]amino]acetamide (PubChem CID 25459256) has the molecular formula C23H30N6O5 and a molecular weight of 470.53 g/mol. Its IUPAC name is (2R)-N-tert-butyl-2-(furan-2-yl)-2-[[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]-[[(2S)-oxolan-2-yl]methyl]amino]acetamide.

Molecular Properties

• Compound Name: (2R)-N-tert-butyl-2-(furan-2-yl)-2-[[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]-[[(2S)-oxolan-2-yl]methyl]amino]acetamide
• PubChem CID: 25459256
• Molecular Formula: C23H30N6O5
• Molecular Weight: 470.53 g/mol
• Exact Mass: 470.23
• IUPAC Name: (2R)-N-tert-butyl-2-(furan-2-yl)-2-[[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]-[[(2S)-oxolan-2-yl]methyl]amino]acetamide
• SMILES: Cc1ccc(-c2nnn(CC(=O)N(C[C@@H]3CCCO3)[C@@H](C(=O)NC(C)(C)C)c3ccco3)n2)o1
• InChI: InChI=1S/C23H30N6O5/c1-15-9-10-18(34-15)21-25-27-29(26-21)14-19(30)28(13-16-7-5-11-32-16)20(17-8-6-12-33-17)22(31)24-23(2,3)4/h6,8-10,12,16,20H,5,7,11,13-14H2,1-4H3,(H,24,31)/t16-,20+/m0/s1
• InChIKey: GOUXGIZECOHFEV-OXJNMPFZSA-N
• XLogP: 2.50
• TPSA: 128.52 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 9
• Rotatable Bonds: 8
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	470.53
LogP ≤ 5	2.50
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of (2R)-N-tert-butyl-2-(furan-2-yl)-2-[[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]-[[(2S)-oxolan-2-yl]methyl]amino]acetamide?

The IUPAC name of (2R)-N-tert-butyl-2-(furan-2-yl)-2-[[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]-[[(2S)-oxolan-2-yl]methyl]amino]acetamide (CID 25459256) is (2R)-N-tert-butyl-2-(furan-2-yl)-2-[[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]-[[(2S)-oxolan-2-yl]methyl]amino]acetamide.

What is the SMILES notation for (2R)-N-tert-butyl-2-(furan-2-yl)-2-[[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]-[[(2S)-oxolan-2-yl]methyl]amino]acetamide?

The canonical SMILES for (2R)-N-tert-butyl-2-(furan-2-yl)-2-[[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]-[[(2S)-oxolan-2-yl]methyl]amino]acetamide is Cc1ccc(-c2nnn(CC(=O)N(C[C@@H]3CCCO3)[C@@H](C(=O)NC(C)(C)C)c3ccco3)n2)o1.

What is the InChIKey of (2R)-N-tert-butyl-2-(furan-2-yl)-2-[[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]-[[(2S)-oxolan-2-yl]methyl]amino]acetamide?

The InChIKey is GOUXGIZECOHFEV-OXJNMPFZSA-N. The full InChI is InChI=1S/C23H30N6O5/c1-15-9-10-18(34-15)21-25-27-29(26-21)14-19(30)28(13-16-7-5-11-32-16)20(17-8-6-12-33-17)22(31)24-23(2,3)4/h6,8-10,12,16,20H,5,7,11,13-14H2,1-4H3,(H,24,31)/t16-,20+/m0/s1.

What are the key properties of (2R)-N-tert-butyl-2-(furan-2-yl)-2-[[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]-[[(2S)-oxolan-2-yl]methyl]amino]acetamide?

(2R)-N-tert-butyl-2-(furan-2-yl)-2-[[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]-[[(2S)-oxolan-2-yl]methyl]amino]acetamide has a molecular weight of 470.53 g/mol, XLogP of 2.50, 8 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for (2R)-N-tert-butyl-2-(furan-2-yl)-2-[[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]-[[(2S)-oxolan-2-yl]methyl]amino]acetamide is sourced from PubChem (CID 25459256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).