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

C20H25N3O4 — CID 131692877

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

(3-methyl-5-propyl-1,2-oxazol-4-yl)-(8-pyridin-2-yloxy-5-oxa-2-azaspiro[3.5]nonan-2-yl)methanone (PubChem CID 131692877) has the molecular formula C20H25N3O4 and a molecular weight of 371.44 g/mol. Its IUPAC name is (3-methyl-5-propyl-1,2-oxazol-4-yl)-(8-pyridin-2-yloxy-5-oxa-2-azaspiro[3.5]nonan-2-yl)methanone.

Molecular Properties

• Compound Name: (3-methyl-5-propyl-1,2-oxazol-4-yl)-(8-pyridin-2-yloxy-5-oxa-2-azaspiro[3.5]nonan-2-yl)methanone
• PubChem CID: 131692877
• Molecular Formula: C20H25N3O4
• Molecular Weight: 371.44 g/mol
• Exact Mass: 371.18
• IUPAC Name: (3-methyl-5-propyl-1,2-oxazol-4-yl)-(8-pyridin-2-yloxy-5-oxa-2-azaspiro[3.5]nonan-2-yl)methanone
• SMILES: CCCc1onc(C)c1C(=O)N1CC2(CC(Oc3ccccn3)CCO2)C1
• InChI: InChI=1S/C20H25N3O4/c1-3-6-16-18(14(2)22-27-16)19(24)23-12-20(13-23)11-15(8-10-25-20)26-17-7-4-5-9-21-17/h4-5,7,9,15H,3,6,8,10-13H2,1-2H3
• InChIKey: VHWPYOAWOZXLNS-UHFFFAOYSA-N
• XLogP: 2.78
• TPSA: 77.69 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	371.44
LogP ≤ 5	2.78
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of (3-methyl-5-propyl-1,2-oxazol-4-yl)-(8-pyridin-2-yloxy-5-oxa-2-azaspiro[3.5]nonan-2-yl)methanone (CID 131692877) is (3-methyl-5-propyl-1,2-oxazol-4-yl)-(8-pyridin-2-yloxy-5-oxa-2-azaspiro[3.5]nonan-2-yl)methanone.

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

The canonical SMILES for (3-methyl-5-propyl-1,2-oxazol-4-yl)-(8-pyridin-2-yloxy-5-oxa-2-azaspiro[3.5]nonan-2-yl)methanone is CCCc1onc(C)c1C(=O)N1CC2(CC(Oc3ccccn3)CCO2)C1.

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

The InChIKey is VHWPYOAWOZXLNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O4/c1-3-6-16-18(14(2)22-27-16)19(24)23-12-20(13-23)11-15(8-10-25-20)26-17-7-4-5-9-21-17/h4-5,7,9,15H,3,6,8,10-13H2,1-2H3.

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

(3-methyl-5-propyl-1,2-oxazol-4-yl)-(8-pyridin-2-yloxy-5-oxa-2-azaspiro[3.5]nonan-2-yl)methanone has a molecular weight of 371.44 g/mol, XLogP of 2.78, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for (3-methyl-5-propyl-1,2-oxazol-4-yl)-(8-pyridin-2-yloxy-5-oxa-2-azaspiro[3.5]nonan-2-yl)methanone is sourced from PubChem (CID 131692877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).