[8-(4-methylpyrimidin-2-yl)oxy-5-oxa-2-azaspiro[3.5]nonan-2-yl]-(1,2-oxazol-4-yl)methanone

C16H18N4O4 — CID 133137075

About [8-(4-methylpyrimidin-2-yl)oxy-5-oxa-2-azaspiro[3.5]nonan-2-yl]-(1,2-oxazol-4-yl)methanone

[8-(4-methylpyrimidin-2-yl)oxy-5-oxa-2-azaspiro[3.5]nonan-2-yl]-(1,2-oxazol-4-yl)methanone (PubChem CID 133137075) has the molecular formula C16H18N4O4 and a molecular weight of 330.34 g/mol. Its IUPAC name is [8-(4-methylpyrimidin-2-yl)oxy-5-oxa-2-azaspiro[3.5]nonan-2-yl]-(1,2-oxazol-4-yl)methanone.

Molecular Properties

• Compound Name: [8-(4-methylpyrimidin-2-yl)oxy-5-oxa-2-azaspiro[3.5]nonan-2-yl]-(1,2-oxazol-4-yl)methanone
• PubChem CID: 133137075
• Molecular Formula: C16H18N4O4
• Molecular Weight: 330.34 g/mol
• Exact Mass: 330.13
• IUPAC Name: [8-(4-methylpyrimidin-2-yl)oxy-5-oxa-2-azaspiro[3.5]nonan-2-yl]-(1,2-oxazol-4-yl)methanone
• SMILES: Cc1ccnc(OC2CCOC3(C2)CN(C(=O)c2cnoc2)C3)n1
• InChI: InChI=1S/C16H18N4O4/c1-11-2-4-17-15(19-11)24-13-3-5-22-16(6-13)9-20(10-16)14(21)12-7-18-23-8-12/h2,4,7-8,13H,3,5-6,9-10H2,1H3
• InChIKey: KWKZZZJFAJWMRG-UHFFFAOYSA-N
• XLogP: 1.23
• TPSA: 90.58 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 3
• Heavy Atoms: 24
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	330.34
LogP ≤ 5	1.23
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of [8-(4-methylpyrimidin-2-yl)oxy-5-oxa-2-azaspiro[3.5]nonan-2-yl]-(1,2-oxazol-4-yl)methanone (CID 133137075) is [8-(4-methylpyrimidin-2-yl)oxy-5-oxa-2-azaspiro[3.5]nonan-2-yl]-(1,2-oxazol-4-yl)methanone.

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

The canonical SMILES for [8-(4-methylpyrimidin-2-yl)oxy-5-oxa-2-azaspiro[3.5]nonan-2-yl]-(1,2-oxazol-4-yl)methanone is Cc1ccnc(OC2CCOC3(C2)CN(C(=O)c2cnoc2)C3)n1.

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

The InChIKey is KWKZZZJFAJWMRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4O4/c1-11-2-4-17-15(19-11)24-13-3-5-22-16(6-13)9-20(10-16)14(21)12-7-18-23-8-12/h2,4,7-8,13H,3,5-6,9-10H2,1H3.

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

[8-(4-methylpyrimidin-2-yl)oxy-5-oxa-2-azaspiro[3.5]nonan-2-yl]-(1,2-oxazol-4-yl)methanone has a molecular weight of 330.34 g/mol, XLogP of 1.23, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for [8-(4-methylpyrimidin-2-yl)oxy-5-oxa-2-azaspiro[3.5]nonan-2-yl]-(1,2-oxazol-4-yl)methanone is sourced from PubChem (CID 133137075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).