(6R)-2-[2-(1H-imidazol-5-yl)ethyl]-8-[2-(3-methyl-1,2-oxazol-5-yl)acetyl]-2,8-diazaspiro[5.5]undecan-3-one

C20H27N5O3 — CID 97115484

About (6R)-2-[2-(1H-imidazol-5-yl)ethyl]-8-[2-(3-methyl-1,2-oxazol-5-yl)acetyl]-2,8-diazaspiro[5.5]undecan-3-one

(6R)-2-[2-(1H-imidazol-5-yl)ethyl]-8-[2-(3-methyl-1,2-oxazol-5-yl)acetyl]-2,8-diazaspiro[5.5]undecan-3-one (PubChem CID 97115484) has the molecular formula C20H27N5O3 and a molecular weight of 385.47 g/mol. Its IUPAC name is (6R)-2-[2-(1H-imidazol-5-yl)ethyl]-8-[2-(3-methyl-1,2-oxazol-5-yl)acetyl]-2,8-diazaspiro[5.5]undecan-3-one.

Molecular Properties

• Compound Name: (6R)-2-[2-(1H-imidazol-5-yl)ethyl]-8-[2-(3-methyl-1,2-oxazol-5-yl)acetyl]-2,8-diazaspiro[5.5]undecan-3-one
• PubChem CID: 97115484
• Molecular Formula: C20H27N5O3
• Molecular Weight: 385.47 g/mol
• Exact Mass: 385.21
• IUPAC Name: (6R)-2-[2-(1H-imidazol-5-yl)ethyl]-8-[2-(3-methyl-1,2-oxazol-5-yl)acetyl]-2,8-diazaspiro[5.5]undecan-3-one
• SMILES: Cc1cc(CC(=O)N2CCC[C@]3(CCC(=O)N(CCc4cnc[nH]4)C3)C2)on1
• InChI: InChI=1S/C20H27N5O3/c1-15-9-17(28-23-15)10-19(27)24-7-2-5-20(12-24)6-3-18(26)25(13-20)8-4-16-11-21-14-22-16/h9,11,14H,2-8,10,12-13H2,1H3,(H,21,22)/t20-/m0/s1
• InChIKey: RXHPLDQZPGEZKS-FQEVSTJZSA-N
• XLogP: 1.72
• TPSA: 95.33 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	385.47
LogP ≤ 5	1.72
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of (6R)-2-[2-(1H-imidazol-5-yl)ethyl]-8-[2-(3-methyl-1,2-oxazol-5-yl)acetyl]-2,8-diazaspiro[5.5]undecan-3-one?

The IUPAC name of (6R)-2-[2-(1H-imidazol-5-yl)ethyl]-8-[2-(3-methyl-1,2-oxazol-5-yl)acetyl]-2,8-diazaspiro[5.5]undecan-3-one (CID 97115484) is (6R)-2-[2-(1H-imidazol-5-yl)ethyl]-8-[2-(3-methyl-1,2-oxazol-5-yl)acetyl]-2,8-diazaspiro[5.5]undecan-3-one.

What is the SMILES notation for (6R)-2-[2-(1H-imidazol-5-yl)ethyl]-8-[2-(3-methyl-1,2-oxazol-5-yl)acetyl]-2,8-diazaspiro[5.5]undecan-3-one?

The canonical SMILES for (6R)-2-[2-(1H-imidazol-5-yl)ethyl]-8-[2-(3-methyl-1,2-oxazol-5-yl)acetyl]-2,8-diazaspiro[5.5]undecan-3-one is Cc1cc(CC(=O)N2CCC[C@]3(CCC(=O)N(CCc4cnc[nH]4)C3)C2)on1.

What is the InChIKey of (6R)-2-[2-(1H-imidazol-5-yl)ethyl]-8-[2-(3-methyl-1,2-oxazol-5-yl)acetyl]-2,8-diazaspiro[5.5]undecan-3-one?

The InChIKey is RXHPLDQZPGEZKS-FQEVSTJZSA-N. The full InChI is InChI=1S/C20H27N5O3/c1-15-9-17(28-23-15)10-19(27)24-7-2-5-20(12-24)6-3-18(26)25(13-20)8-4-16-11-21-14-22-16/h9,11,14H,2-8,10,12-13H2,1H3,(H,21,22)/t20-/m0/s1.

What are the key properties of (6R)-2-[2-(1H-imidazol-5-yl)ethyl]-8-[2-(3-methyl-1,2-oxazol-5-yl)acetyl]-2,8-diazaspiro[5.5]undecan-3-one?

(6R)-2-[2-(1H-imidazol-5-yl)ethyl]-8-[2-(3-methyl-1,2-oxazol-5-yl)acetyl]-2,8-diazaspiro[5.5]undecan-3-one has a molecular weight of 385.47 g/mol, XLogP of 1.72, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for (6R)-2-[2-(1H-imidazol-5-yl)ethyl]-8-[2-(3-methyl-1,2-oxazol-5-yl)acetyl]-2,8-diazaspiro[5.5]undecan-3-one is sourced from PubChem (CID 97115484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).