[3-[(5-fluoropyrimidin-2-yl)amino]-1-oxa-7-azaspiro[4.4]nonan-7-yl]-(1,2-oxazol-5-yl)methanone

C15H16FN5O3 — CID 134074870

About [3-[(5-fluoropyrimidin-2-yl)amino]-1-oxa-7-azaspiro[4.4]nonan-7-yl]-(1,2-oxazol-5-yl)methanone

[3-[(5-fluoropyrimidin-2-yl)amino]-1-oxa-7-azaspiro[4.4]nonan-7-yl]-(1,2-oxazol-5-yl)methanone (PubChem CID 134074870) has the molecular formula C15H16FN5O3 and a molecular weight of 333.32 g/mol. Its IUPAC name is [3-[(5-fluoropyrimidin-2-yl)amino]-1-oxa-7-azaspiro[4.4]nonan-7-yl]-(1,2-oxazol-5-yl)methanone.

Molecular Properties

• Compound Name: [3-[(5-fluoropyrimidin-2-yl)amino]-1-oxa-7-azaspiro[4.4]nonan-7-yl]-(1,2-oxazol-5-yl)methanone
• PubChem CID: 134074870
• Molecular Formula: C15H16FN5O3
• Molecular Weight: 333.32 g/mol
• Exact Mass: 333.12
• IUPAC Name: [3-[(5-fluoropyrimidin-2-yl)amino]-1-oxa-7-azaspiro[4.4]nonan-7-yl]-(1,2-oxazol-5-yl)methanone
• SMILES: O=C(c1ccno1)N1CCC2(CC(Nc3ncc(F)cn3)CO2)C1
• InChI: InChI=1S/C15H16FN5O3/c16-10-6-17-14(18-7-10)20-11-5-15(23-8-11)2-4-21(9-15)13(22)12-1-3-19-24-12/h1,3,6-7,11H,2,4-5,8-9H2,(H,17,18,20)
• InChIKey: QUIWOPOAGQESOZ-UHFFFAOYSA-N
• XLogP: 1.09
• TPSA: 93.38 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 3
• Heavy Atoms: 24
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	333.32
LogP ≤ 5	1.09
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of [3-[(5-fluoropyrimidin-2-yl)amino]-1-oxa-7-azaspiro[4.4]nonan-7-yl]-(1,2-oxazol-5-yl)methanone?

The IUPAC name of [3-[(5-fluoropyrimidin-2-yl)amino]-1-oxa-7-azaspiro[4.4]nonan-7-yl]-(1,2-oxazol-5-yl)methanone (CID 134074870) is [3-[(5-fluoropyrimidin-2-yl)amino]-1-oxa-7-azaspiro[4.4]nonan-7-yl]-(1,2-oxazol-5-yl)methanone.

What is the SMILES notation for [3-[(5-fluoropyrimidin-2-yl)amino]-1-oxa-7-azaspiro[4.4]nonan-7-yl]-(1,2-oxazol-5-yl)methanone?

The canonical SMILES for [3-[(5-fluoropyrimidin-2-yl)amino]-1-oxa-7-azaspiro[4.4]nonan-7-yl]-(1,2-oxazol-5-yl)methanone is O=C(c1ccno1)N1CCC2(CC(Nc3ncc(F)cn3)CO2)C1.

What is the InChIKey of [3-[(5-fluoropyrimidin-2-yl)amino]-1-oxa-7-azaspiro[4.4]nonan-7-yl]-(1,2-oxazol-5-yl)methanone?

The InChIKey is QUIWOPOAGQESOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16FN5O3/c16-10-6-17-14(18-7-10)20-11-5-15(23-8-11)2-4-21(9-15)13(22)12-1-3-19-24-12/h1,3,6-7,11H,2,4-5,8-9H2,(H,17,18,20).

What are the key properties of [3-[(5-fluoropyrimidin-2-yl)amino]-1-oxa-7-azaspiro[4.4]nonan-7-yl]-(1,2-oxazol-5-yl)methanone?

[3-[(5-fluoropyrimidin-2-yl)amino]-1-oxa-7-azaspiro[4.4]nonan-7-yl]-(1,2-oxazol-5-yl)methanone has a molecular weight of 333.32 g/mol, XLogP of 1.09, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for [3-[(5-fluoropyrimidin-2-yl)amino]-1-oxa-7-azaspiro[4.4]nonan-7-yl]-(1,2-oxazol-5-yl)methanone is sourced from PubChem (CID 134074870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).