[11-[2-(dimethylamino)ethyl]-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl]-(3,5-dimethyl-1,2-oxazol-4-yl)methanone;bis(2,2,2-trifluoroacetic acid)

C23H34F6N4O7 — CID 155850601

About [11-[2-(dimethylamino)ethyl]-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl]-(3,5-dimethyl-1,2-oxazol-4-yl)methanone;bis(2,2,2-trifluoroacetic acid)

[11-[2-(dimethylamino)ethyl]-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl]-(3,5-dimethyl-1,2-oxazol-4-yl)methanone;bis(2,2,2-trifluoroacetic acid) (PubChem CID 155850601) has the molecular formula C23H34F6N4O7 and a molecular weight of 592.53 g/mol. Its IUPAC name is [11-[2-(dimethylamino)ethyl]-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl]-(3,5-dimethyl-1,2-oxazol-4-yl)methanone;bis(2,2,2-trifluoroacetic acid).

Molecular Properties

• Compound Name: [11-[2-(dimethylamino)ethyl]-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl]-(3,5-dimethyl-1,2-oxazol-4-yl)methanone;bis(2,2,2-trifluoroacetic acid)
• PubChem CID: 155850601
• Molecular Formula: C23H34F6N4O7
• Molecular Weight: 592.53 g/mol
• Exact Mass: 592.23
• IUPAC Name: [11-[2-(dimethylamino)ethyl]-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl]-(3,5-dimethyl-1,2-oxazol-4-yl)methanone;bis(2,2,2-trifluoroacetic acid)
• SMILES: Cc1noc(C)c1C(=O)N1CCCC2(COCCN(CCN(C)C)C2)C1.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F
• InChI: InChI=1S/C19H32N4O3.2C2HF3O2/c1-15-17(16(2)26-20-15)18(24)23-7-5-6-19(13-23)12-22(9-8-21(3)4)10-11-25-14-19;2*3-2(4,5)1(6)7/h5-14H2,1-4H3;2*(H,6,7)
• InChIKey: SQZMADXFDUMJIR-UHFFFAOYSA-N
• XLogP: 2.67
• TPSA: 136.65 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 4
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	592.53
LogP ≤ 5	2.67
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of [11-[2-(dimethylamino)ethyl]-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl]-(3,5-dimethyl-1,2-oxazol-4-yl)methanone;bis(2,2,2-trifluoroacetic acid)?

The IUPAC name of [11-[2-(dimethylamino)ethyl]-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl]-(3,5-dimethyl-1,2-oxazol-4-yl)methanone;bis(2,2,2-trifluoroacetic acid) (CID 155850601) is [11-[2-(dimethylamino)ethyl]-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl]-(3,5-dimethyl-1,2-oxazol-4-yl)methanone;bis(2,2,2-trifluoroacetic acid).

What is the SMILES notation for [11-[2-(dimethylamino)ethyl]-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl]-(3,5-dimethyl-1,2-oxazol-4-yl)methanone;bis(2,2,2-trifluoroacetic acid)?

The canonical SMILES for [11-[2-(dimethylamino)ethyl]-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl]-(3,5-dimethyl-1,2-oxazol-4-yl)methanone;bis(2,2,2-trifluoroacetic acid) is Cc1noc(C)c1C(=O)N1CCCC2(COCCN(CCN(C)C)C2)C1.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.

What is the InChIKey of [11-[2-(dimethylamino)ethyl]-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl]-(3,5-dimethyl-1,2-oxazol-4-yl)methanone;bis(2,2,2-trifluoroacetic acid)?

The InChIKey is SQZMADXFDUMJIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32N4O3.2C2HF3O2/c1-15-17(16(2)26-20-15)18(24)23-7-5-6-19(13-23)12-22(9-8-21(3)4)10-11-25-14-19;2*3-2(4,5)1(6)7/h5-14H2,1-4H3;2*(H,6,7).

What are the key properties of [11-[2-(dimethylamino)ethyl]-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl]-(3,5-dimethyl-1,2-oxazol-4-yl)methanone;bis(2,2,2-trifluoroacetic acid)?

[11-[2-(dimethylamino)ethyl]-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl]-(3,5-dimethyl-1,2-oxazol-4-yl)methanone;bis(2,2,2-trifluoroacetic acid) has a molecular weight of 592.53 g/mol, XLogP of 2.67, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for [11-[2-(dimethylamino)ethyl]-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl]-(3,5-dimethyl-1,2-oxazol-4-yl)methanone;bis(2,2,2-trifluoroacetic acid) is sourced from PubChem (CID 155850601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).