(7S)-2-[2-[[5-methyl-3-(6-methyl-3-pyridinyl)-1,2-oxazol-4-yl]methyl]-1H-pyridazin-5-yl]-5-oxa-2-azaspiro[3.4]octan-7-ol

C21H25N5O3 — CID 146272989

About (7S)-2-[2-[[5-methyl-3-(6-methyl-3-pyridinyl)-1,2-oxazol-4-yl]methyl]-1H-pyridazin-5-yl]-5-oxa-2-azaspiro[3.4]octan-7-ol

(7S)-2-[2-[[5-methyl-3-(6-methyl-3-pyridinyl)-1,2-oxazol-4-yl]methyl]-1H-pyridazin-5-yl]-5-oxa-2-azaspiro[3.4]octan-7-ol (PubChem CID 146272989) has the molecular formula C21H25N5O3 and a molecular weight of 395.46 g/mol. Its IUPAC name is (7S)-2-[2-[[5-methyl-3-(6-methyl-3-pyridinyl)-1,2-oxazol-4-yl]methyl]-1H-pyridazin-5-yl]-5-oxa-2-azaspiro[3.4]octan-7-ol.

Molecular Properties

• Compound Name: (7S)-2-[2-[[5-methyl-3-(6-methyl-3-pyridinyl)-1,2-oxazol-4-yl]methyl]-1H-pyridazin-5-yl]-5-oxa-2-azaspiro[3.4]octan-7-ol
• PubChem CID: 146272989
• Molecular Formula: C21H25N5O3
• Molecular Weight: 395.46 g/mol
• Exact Mass: 395.20
• IUPAC Name: (7S)-2-[2-[[5-methyl-3-(6-methyl-3-pyridinyl)-1,2-oxazol-4-yl]methyl]-1H-pyridazin-5-yl]-5-oxa-2-azaspiro[3.4]octan-7-ol
• SMILES: Cc1ccc(-c2noc(C)c2CN2C=CC(N3CC4(C[C@H](O)CO4)C3)=CN2)cn1
• InChI: InChI=1S/C21H25N5O3/c1-14-3-4-16(8-22-14)20-19(15(2)29-24-20)10-26-6-5-17(9-23-26)25-12-21(13-25)7-18(27)11-28-21/h3-6,8-9,18,23,27H,7,10-13H2,1-2H3/t18-/m0/s1
• InChIKey: UNGMYYUMAUVJOE-SFHVURJKSA-N
• XLogP: 1.86
• TPSA: 86.89 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 4
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	395.46
LogP ≤ 5	1.86
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of (7S)-2-[2-[[5-methyl-3-(6-methyl-3-pyridinyl)-1,2-oxazol-4-yl]methyl]-1H-pyridazin-5-yl]-5-oxa-2-azaspiro[3.4]octan-7-ol?

The IUPAC name of (7S)-2-[2-[[5-methyl-3-(6-methyl-3-pyridinyl)-1,2-oxazol-4-yl]methyl]-1H-pyridazin-5-yl]-5-oxa-2-azaspiro[3.4]octan-7-ol (CID 146272989) is (7S)-2-[2-[[5-methyl-3-(6-methyl-3-pyridinyl)-1,2-oxazol-4-yl]methyl]-1H-pyridazin-5-yl]-5-oxa-2-azaspiro[3.4]octan-7-ol.

What is the SMILES notation for (7S)-2-[2-[[5-methyl-3-(6-methyl-3-pyridinyl)-1,2-oxazol-4-yl]methyl]-1H-pyridazin-5-yl]-5-oxa-2-azaspiro[3.4]octan-7-ol?

The canonical SMILES for (7S)-2-[2-[[5-methyl-3-(6-methyl-3-pyridinyl)-1,2-oxazol-4-yl]methyl]-1H-pyridazin-5-yl]-5-oxa-2-azaspiro[3.4]octan-7-ol is Cc1ccc(-c2noc(C)c2CN2C=CC(N3CC4(C[C@H](O)CO4)C3)=CN2)cn1.

What is the InChIKey of (7S)-2-[2-[[5-methyl-3-(6-methyl-3-pyridinyl)-1,2-oxazol-4-yl]methyl]-1H-pyridazin-5-yl]-5-oxa-2-azaspiro[3.4]octan-7-ol?

The InChIKey is UNGMYYUMAUVJOE-SFHVURJKSA-N. The full InChI is InChI=1S/C21H25N5O3/c1-14-3-4-16(8-22-14)20-19(15(2)29-24-20)10-26-6-5-17(9-23-26)25-12-21(13-25)7-18(27)11-28-21/h3-6,8-9,18,23,27H,7,10-13H2,1-2H3/t18-/m0/s1.

What are the key properties of (7S)-2-[2-[[5-methyl-3-(6-methyl-3-pyridinyl)-1,2-oxazol-4-yl]methyl]-1H-pyridazin-5-yl]-5-oxa-2-azaspiro[3.4]octan-7-ol?

(7S)-2-[2-[[5-methyl-3-(6-methyl-3-pyridinyl)-1,2-oxazol-4-yl]methyl]-1H-pyridazin-5-yl]-5-oxa-2-azaspiro[3.4]octan-7-ol has a molecular weight of 395.46 g/mol, XLogP of 1.86, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for (7S)-2-[2-[[5-methyl-3-(6-methyl-3-pyridinyl)-1,2-oxazol-4-yl]methyl]-1H-pyridazin-5-yl]-5-oxa-2-azaspiro[3.4]octan-7-ol is sourced from PubChem (CID 146272989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).