[(8R)-8-[(5-methyl-3-pyridinyl)methoxy]-5-oxa-2-azaspiro[3.5]nonan-2-yl]-(2-methyl-1,3-thiazol-4-yl)methanone

C19H23N3O3S — CID 124799221

About [(8R)-8-[(5-methyl-3-pyridinyl)methoxy]-5-oxa-2-azaspiro[3.5]nonan-2-yl]-(2-methyl-1,3-thiazol-4-yl)methanone

[(8R)-8-[(5-methyl-3-pyridinyl)methoxy]-5-oxa-2-azaspiro[3.5]nonan-2-yl]-(2-methyl-1,3-thiazol-4-yl)methanone (PubChem CID 124799221) has the molecular formula C19H23N3O3S and a molecular weight of 373.48 g/mol. Its IUPAC name is [(8R)-8-[(5-methyl-3-pyridinyl)methoxy]-5-oxa-2-azaspiro[3.5]nonan-2-yl]-(2-methyl-1,3-thiazol-4-yl)methanone.

Molecular Properties

• Compound Name: [(8R)-8-[(5-methyl-3-pyridinyl)methoxy]-5-oxa-2-azaspiro[3.5]nonan-2-yl]-(2-methyl-1,3-thiazol-4-yl)methanone
• PubChem CID: 124799221
• Molecular Formula: C19H23N3O3S
• Molecular Weight: 373.48 g/mol
• Exact Mass: 373.15
• IUPAC Name: [(8R)-8-[(5-methyl-3-pyridinyl)methoxy]-5-oxa-2-azaspiro[3.5]nonan-2-yl]-(2-methyl-1,3-thiazol-4-yl)methanone
• SMILES: Cc1cncc(CO[C@@H]2CCOC3(C2)CN(C(=O)c2csc(C)n2)C3)c1
• InChI: InChI=1S/C19H23N3O3S/c1-13-5-15(8-20-7-13)9-24-16-3-4-25-19(6-16)11-22(12-19)18(23)17-10-26-14(2)21-17/h5,7-8,10,16H,3-4,6,9,11-12H2,1-2H3/t16-/m1/s1
• InChIKey: OALJQHMKJDFDDA-MRXNPFEDSA-N
• XLogP: 2.75
• TPSA: 64.55 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	373.48
LogP ≤ 5	2.75
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of [(8R)-8-[(5-methyl-3-pyridinyl)methoxy]-5-oxa-2-azaspiro[3.5]nonan-2-yl]-(2-methyl-1,3-thiazol-4-yl)methanone?

The IUPAC name of [(8R)-8-[(5-methyl-3-pyridinyl)methoxy]-5-oxa-2-azaspiro[3.5]nonan-2-yl]-(2-methyl-1,3-thiazol-4-yl)methanone (CID 124799221) is [(8R)-8-[(5-methyl-3-pyridinyl)methoxy]-5-oxa-2-azaspiro[3.5]nonan-2-yl]-(2-methyl-1,3-thiazol-4-yl)methanone.

What is the SMILES notation for [(8R)-8-[(5-methyl-3-pyridinyl)methoxy]-5-oxa-2-azaspiro[3.5]nonan-2-yl]-(2-methyl-1,3-thiazol-4-yl)methanone?

The canonical SMILES for [(8R)-8-[(5-methyl-3-pyridinyl)methoxy]-5-oxa-2-azaspiro[3.5]nonan-2-yl]-(2-methyl-1,3-thiazol-4-yl)methanone is Cc1cncc(CO[C@@H]2CCOC3(C2)CN(C(=O)c2csc(C)n2)C3)c1.

What is the InChIKey of [(8R)-8-[(5-methyl-3-pyridinyl)methoxy]-5-oxa-2-azaspiro[3.5]nonan-2-yl]-(2-methyl-1,3-thiazol-4-yl)methanone?

The InChIKey is OALJQHMKJDFDDA-MRXNPFEDSA-N. The full InChI is InChI=1S/C19H23N3O3S/c1-13-5-15(8-20-7-13)9-24-16-3-4-25-19(6-16)11-22(12-19)18(23)17-10-26-14(2)21-17/h5,7-8,10,16H,3-4,6,9,11-12H2,1-2H3/t16-/m1/s1.

What are the key properties of [(8R)-8-[(5-methyl-3-pyridinyl)methoxy]-5-oxa-2-azaspiro[3.5]nonan-2-yl]-(2-methyl-1,3-thiazol-4-yl)methanone?

[(8R)-8-[(5-methyl-3-pyridinyl)methoxy]-5-oxa-2-azaspiro[3.5]nonan-2-yl]-(2-methyl-1,3-thiazol-4-yl)methanone has a molecular weight of 373.48 g/mol, XLogP of 2.75, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for [(8R)-8-[(5-methyl-3-pyridinyl)methoxy]-5-oxa-2-azaspiro[3.5]nonan-2-yl]-(2-methyl-1,3-thiazol-4-yl)methanone is sourced from PubChem (CID 124799221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).