(5-cyclopropyl-1,2-oxazol-3-yl)-[(3R,5S)-3-pyridin-3-yloxy-1-oxa-7-azaspiro[4.4]nonan-7-yl]methanone

C19H21N3O4 — CID 97419989

About (5-cyclopropyl-1,2-oxazol-3-yl)-[(3R,5S)-3-pyridin-3-yloxy-1-oxa-7-azaspiro[4.4]nonan-7-yl]methanone

(5-cyclopropyl-1,2-oxazol-3-yl)-[(3R,5S)-3-pyridin-3-yloxy-1-oxa-7-azaspiro[4.4]nonan-7-yl]methanone (PubChem CID 97419989) has the molecular formula C19H21N3O4 and a molecular weight of 355.39 g/mol. Its IUPAC name is (5-cyclopropyl-1,2-oxazol-3-yl)-[(3R,5S)-3-pyridin-3-yloxy-1-oxa-7-azaspiro[4.4]nonan-7-yl]methanone.

Molecular Properties

• Compound Name: (5-cyclopropyl-1,2-oxazol-3-yl)-[(3R,5S)-3-pyridin-3-yloxy-1-oxa-7-azaspiro[4.4]nonan-7-yl]methanone
• PubChem CID: 97419989
• Molecular Formula: C19H21N3O4
• Molecular Weight: 355.39 g/mol
• Exact Mass: 355.15
• IUPAC Name: (5-cyclopropyl-1,2-oxazol-3-yl)-[(3R,5S)-3-pyridin-3-yloxy-1-oxa-7-azaspiro[4.4]nonan-7-yl]methanone
• SMILES: O=C(c1cc(C2CC2)on1)N1CC[C@]2(C[C@@H](Oc3cccnc3)CO2)C1
• InChI: InChI=1S/C19H21N3O4/c23-18(16-8-17(26-21-16)13-3-4-13)22-7-5-19(12-22)9-15(11-24-19)25-14-2-1-6-20-10-14/h1-2,6,8,10,13,15H,3-5,7,9,11-12H2/t15-,19+/m1/s1
• InChIKey: FTJOLXJTASJDOV-BEFAXECRSA-N
• XLogP: 2.40
• TPSA: 77.69 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	355.39
LogP ≤ 5	2.40
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of (5-cyclopropyl-1,2-oxazol-3-yl)-[(3R,5S)-3-pyridin-3-yloxy-1-oxa-7-azaspiro[4.4]nonan-7-yl]methanone?

The IUPAC name of (5-cyclopropyl-1,2-oxazol-3-yl)-[(3R,5S)-3-pyridin-3-yloxy-1-oxa-7-azaspiro[4.4]nonan-7-yl]methanone (CID 97419989) is (5-cyclopropyl-1,2-oxazol-3-yl)-[(3R,5S)-3-pyridin-3-yloxy-1-oxa-7-azaspiro[4.4]nonan-7-yl]methanone.

What is the SMILES notation for (5-cyclopropyl-1,2-oxazol-3-yl)-[(3R,5S)-3-pyridin-3-yloxy-1-oxa-7-azaspiro[4.4]nonan-7-yl]methanone?

The canonical SMILES for (5-cyclopropyl-1,2-oxazol-3-yl)-[(3R,5S)-3-pyridin-3-yloxy-1-oxa-7-azaspiro[4.4]nonan-7-yl]methanone is O=C(c1cc(C2CC2)on1)N1CC[C@]2(C[C@@H](Oc3cccnc3)CO2)C1.

What is the InChIKey of (5-cyclopropyl-1,2-oxazol-3-yl)-[(3R,5S)-3-pyridin-3-yloxy-1-oxa-7-azaspiro[4.4]nonan-7-yl]methanone?

The InChIKey is FTJOLXJTASJDOV-BEFAXECRSA-N. The full InChI is InChI=1S/C19H21N3O4/c23-18(16-8-17(26-21-16)13-3-4-13)22-7-5-19(12-22)9-15(11-24-19)25-14-2-1-6-20-10-14/h1-2,6,8,10,13,15H,3-5,7,9,11-12H2/t15-,19+/m1/s1.

What are the key properties of (5-cyclopropyl-1,2-oxazol-3-yl)-[(3R,5S)-3-pyridin-3-yloxy-1-oxa-7-azaspiro[4.4]nonan-7-yl]methanone?

(5-cyclopropyl-1,2-oxazol-3-yl)-[(3R,5S)-3-pyridin-3-yloxy-1-oxa-7-azaspiro[4.4]nonan-7-yl]methanone has a molecular weight of 355.39 g/mol, XLogP of 2.40, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for (5-cyclopropyl-1,2-oxazol-3-yl)-[(3R,5S)-3-pyridin-3-yloxy-1-oxa-7-azaspiro[4.4]nonan-7-yl]methanone is sourced from PubChem (CID 97419989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).