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

C17H21N3O4S — CID 131640943

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

(5-methyl-1,2-oxazol-3-yl)-[8-[(2-methyl-1,3-thiazol-4-yl)methoxy]-5-oxa-2-azaspiro[3.5]nonan-2-yl]methanone (PubChem CID 131640943) has the molecular formula C17H21N3O4S and a molecular weight of 363.44 g/mol. Its IUPAC name is (5-methyl-1,2-oxazol-3-yl)-[8-[(2-methyl-1,3-thiazol-4-yl)methoxy]-5-oxa-2-azaspiro[3.5]nonan-2-yl]methanone.

Molecular Properties

• Compound Name: (5-methyl-1,2-oxazol-3-yl)-[8-[(2-methyl-1,3-thiazol-4-yl)methoxy]-5-oxa-2-azaspiro[3.5]nonan-2-yl]methanone
• PubChem CID: 131640943
• Molecular Formula: C17H21N3O4S
• Molecular Weight: 363.44 g/mol
• Exact Mass: 363.13
• IUPAC Name: (5-methyl-1,2-oxazol-3-yl)-[8-[(2-methyl-1,3-thiazol-4-yl)methoxy]-5-oxa-2-azaspiro[3.5]nonan-2-yl]methanone
• SMILES: Cc1cc(C(=O)N2CC3(CC(OCc4csc(C)n4)CCO3)C2)no1
• InChI: InChI=1S/C17H21N3O4S/c1-11-5-15(19-24-11)16(21)20-9-17(10-20)6-14(3-4-23-17)22-7-13-8-25-12(2)18-13/h5,8,14H,3-4,6-7,9-10H2,1-2H3
• InChIKey: XHILYRUJAKBTRX-UHFFFAOYSA-N
• XLogP: 2.34
• TPSA: 77.69 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 4
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	363.44
LogP ≤ 5	2.34
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of (5-methyl-1,2-oxazol-3-yl)-[8-[(2-methyl-1,3-thiazol-4-yl)methoxy]-5-oxa-2-azaspiro[3.5]nonan-2-yl]methanone (CID 131640943) is (5-methyl-1,2-oxazol-3-yl)-[8-[(2-methyl-1,3-thiazol-4-yl)methoxy]-5-oxa-2-azaspiro[3.5]nonan-2-yl]methanone.

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

The canonical SMILES for (5-methyl-1,2-oxazol-3-yl)-[8-[(2-methyl-1,3-thiazol-4-yl)methoxy]-5-oxa-2-azaspiro[3.5]nonan-2-yl]methanone is Cc1cc(C(=O)N2CC3(CC(OCc4csc(C)n4)CCO3)C2)no1.

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

The InChIKey is XHILYRUJAKBTRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O4S/c1-11-5-15(19-24-11)16(21)20-9-17(10-20)6-14(3-4-23-17)22-7-13-8-25-12(2)18-13/h5,8,14H,3-4,6-7,9-10H2,1-2H3.

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

(5-methyl-1,2-oxazol-3-yl)-[8-[(2-methyl-1,3-thiazol-4-yl)methoxy]-5-oxa-2-azaspiro[3.5]nonan-2-yl]methanone has a molecular weight of 363.44 g/mol, XLogP of 2.34, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for (5-methyl-1,2-oxazol-3-yl)-[8-[(2-methyl-1,3-thiazol-4-yl)methoxy]-5-oxa-2-azaspiro[3.5]nonan-2-yl]methanone is sourced from PubChem (CID 131640943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).