2-[(5-methyl-1,2-oxazol-3-yl)methyl]-8-(4-methylpyrimidin-2-yl)oxy-5-oxa-2-azaspiro[3.5]nonane

C17H22N4O3 — CID 131644906

About 2-[(5-methyl-1,2-oxazol-3-yl)methyl]-8-(4-methylpyrimidin-2-yl)oxy-5-oxa-2-azaspiro[3.5]nonane

2-[(5-methyl-1,2-oxazol-3-yl)methyl]-8-(4-methylpyrimidin-2-yl)oxy-5-oxa-2-azaspiro[3.5]nonane (PubChem CID 131644906) has the molecular formula C17H22N4O3 and a molecular weight of 330.39 g/mol. Its IUPAC name is 2-[(5-methyl-1,2-oxazol-3-yl)methyl]-8-(4-methylpyrimidin-2-yl)oxy-5-oxa-2-azaspiro[3.5]nonane.

Molecular Properties

• Compound Name: 2-[(5-methyl-1,2-oxazol-3-yl)methyl]-8-(4-methylpyrimidin-2-yl)oxy-5-oxa-2-azaspiro[3.5]nonane
• PubChem CID: 131644906
• Molecular Formula: C17H22N4O3
• Molecular Weight: 330.39 g/mol
• Exact Mass: 330.17
• IUPAC Name: 2-[(5-methyl-1,2-oxazol-3-yl)methyl]-8-(4-methylpyrimidin-2-yl)oxy-5-oxa-2-azaspiro[3.5]nonane
• SMILES: Cc1ccnc(OC2CCOC3(C2)CN(Cc2cc(C)on2)C3)n1
• InChI: InChI=1S/C17H22N4O3/c1-12-3-5-18-16(19-12)23-15-4-6-22-17(8-15)10-21(11-17)9-14-7-13(2)24-20-14/h3,5,7,15H,4,6,8-11H2,1-2H3
• InChIKey: SLEYYXJQHBIJHM-UHFFFAOYSA-N
• XLogP: 1.89
• TPSA: 73.51 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 4
• Heavy Atoms: 24
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	330.39
LogP ≤ 5	1.89
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 2-[(5-methyl-1,2-oxazol-3-yl)methyl]-8-(4-methylpyrimidin-2-yl)oxy-5-oxa-2-azaspiro[3.5]nonane?

The IUPAC name of 2-[(5-methyl-1,2-oxazol-3-yl)methyl]-8-(4-methylpyrimidin-2-yl)oxy-5-oxa-2-azaspiro[3.5]nonane (CID 131644906) is 2-[(5-methyl-1,2-oxazol-3-yl)methyl]-8-(4-methylpyrimidin-2-yl)oxy-5-oxa-2-azaspiro[3.5]nonane.

What is the SMILES notation for 2-[(5-methyl-1,2-oxazol-3-yl)methyl]-8-(4-methylpyrimidin-2-yl)oxy-5-oxa-2-azaspiro[3.5]nonane?

The canonical SMILES for 2-[(5-methyl-1,2-oxazol-3-yl)methyl]-8-(4-methylpyrimidin-2-yl)oxy-5-oxa-2-azaspiro[3.5]nonane is Cc1ccnc(OC2CCOC3(C2)CN(Cc2cc(C)on2)C3)n1.

What is the InChIKey of 2-[(5-methyl-1,2-oxazol-3-yl)methyl]-8-(4-methylpyrimidin-2-yl)oxy-5-oxa-2-azaspiro[3.5]nonane?

The InChIKey is SLEYYXJQHBIJHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O3/c1-12-3-5-18-16(19-12)23-15-4-6-22-17(8-15)10-21(11-17)9-14-7-13(2)24-20-14/h3,5,7,15H,4,6,8-11H2,1-2H3.

What are the key properties of 2-[(5-methyl-1,2-oxazol-3-yl)methyl]-8-(4-methylpyrimidin-2-yl)oxy-5-oxa-2-azaspiro[3.5]nonane?

2-[(5-methyl-1,2-oxazol-3-yl)methyl]-8-(4-methylpyrimidin-2-yl)oxy-5-oxa-2-azaspiro[3.5]nonane has a molecular weight of 330.39 g/mol, XLogP of 1.89, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[(5-methyl-1,2-oxazol-3-yl)methyl]-8-(4-methylpyrimidin-2-yl)oxy-5-oxa-2-azaspiro[3.5]nonane is sourced from PubChem (CID 131644906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).