(5-methyl-1,2-oxazol-4-yl)-(2-morpholin-4-yl-7-azaspiro[3.5]nonan-7-yl)methanone;2,2,2-trifluoroacetic acid

C19H26F3N3O5 — CID 118742417

IUPAC(5-methyl-1,2-oxazol-4-yl)-(2-morpholin-4-yl-7-azaspiro[3.5]nonan-7-yl)methanone;2,2,2-trifluoroacetic acid
SMILESCc1oncc1C(=O)N1CCC2(CC1)CC(N1CCOCC1)C2.O=C(O)C(F)(F)F
InChIInChI=1S/C17H25N3O3.C2HF3O2/c1-13-15(12-18-23-13)16(21)20-4-2-17(3-5-20)10-14(11-17)19-6-8-22-9-7-19;3-2(4,5)1(6)7/h12,14H,2-11H2,1H3;(H,6,7)
InChIKeyZHTIGCLQEUPHKI-UHFFFAOYSA-N
MW433.43 g/mol
LogP2.33
Rot. Bonds2

About (5-methyl-1,2-oxazol-4-yl)-(2-morpholin-4-yl-7-azaspiro[3.5]nonan-7-yl)methanone;2,2,2-trifluoroacetic acid

(5-methyl-1,2-oxazol-4-yl)-(2-morpholin-4-yl-7-azaspiro[3.5]nonan-7-yl)methanone;2,2,2-trifluoroacetic acid (PubChem CID 118742417) has the molecular formula C19H26F3N3O5 and a molecular weight of 433.43 g/mol. Its IUPAC name is (5-methyl-1,2-oxazol-4-yl)-(2-morpholin-4-yl-7-azaspiro[3.5]nonan-7-yl)methanone;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name(5-methyl-1,2-oxazol-4-yl)-(2-morpholin-4-yl-7-azaspiro[3.5]nonan-7-yl)methanone;2,2,2-trifluoroacetic acid
PubChem CID118742417
Molecular FormulaC19H26F3N3O5
Molecular Weight433.43 g/mol
Exact Mass433.18
IUPAC Name(5-methyl-1,2-oxazol-4-yl)-(2-morpholin-4-yl-7-azaspiro[3.5]nonan-7-yl)methanone;2,2,2-trifluoroacetic acid
SMILESCc1oncc1C(=O)N1CCC2(CC1)CC(N1CCOCC1)C2.O=C(O)C(F)(F)F
InChIInChI=1S/C17H25N3O3.C2HF3O2/c1-13-15(12-18-23-13)16(21)20-4-2-17(3-5-20)10-14(11-17)19-6-8-22-9-7-19;3-2(4,5)1(6)7/h12,14H,2-11H2,1H3;(H,6,7)
InChIKeyZHTIGCLQEUPHKI-UHFFFAOYSA-N
XLogP2.33
TPSA96.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.43
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (5-methyl-1,2-oxazol-4-yl)-(2-morpholin-4-yl-7-azaspiro[3.5]nonan-7-yl)methanone;2,2,2-trifluoroacetic acid with MolForge

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Frequently Asked Questions

What is the IUPAC name of (5-methyl-1,2-oxazol-4-yl)-(2-morpholin-4-yl-7-azaspiro[3.5]nonan-7-yl)methanone;2,2,2-trifluoroacetic acid?
The IUPAC name of (5-methyl-1,2-oxazol-4-yl)-(2-morpholin-4-yl-7-azaspiro[3.5]nonan-7-yl)methanone;2,2,2-trifluoroacetic acid (CID 118742417) is (5-methyl-1,2-oxazol-4-yl)-(2-morpholin-4-yl-7-azaspiro[3.5]nonan-7-yl)methanone;2,2,2-trifluoroacetic acid.
What is the SMILES notation for (5-methyl-1,2-oxazol-4-yl)-(2-morpholin-4-yl-7-azaspiro[3.5]nonan-7-yl)methanone;2,2,2-trifluoroacetic acid?
The canonical SMILES for (5-methyl-1,2-oxazol-4-yl)-(2-morpholin-4-yl-7-azaspiro[3.5]nonan-7-yl)methanone;2,2,2-trifluoroacetic acid is Cc1oncc1C(=O)N1CCC2(CC1)CC(N1CCOCC1)C2.O=C(O)C(F)(F)F.
What is the InChIKey of (5-methyl-1,2-oxazol-4-yl)-(2-morpholin-4-yl-7-azaspiro[3.5]nonan-7-yl)methanone;2,2,2-trifluoroacetic acid?
The InChIKey is ZHTIGCLQEUPHKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O3.C2HF3O2/c1-13-15(12-18-23-13)16(21)20-4-2-17(3-5-20)10-14(11-17)19-6-8-22-9-7-19;3-2(4,5)1(6)7/h12,14H,2-11H2,1H3;(H,6,7).
What are the key properties of (5-methyl-1,2-oxazol-4-yl)-(2-morpholin-4-yl-7-azaspiro[3.5]nonan-7-yl)methanone;2,2,2-trifluoroacetic acid?
(5-methyl-1,2-oxazol-4-yl)-(2-morpholin-4-yl-7-azaspiro[3.5]nonan-7-yl)methanone;2,2,2-trifluoroacetic acid has a molecular weight of 433.43 g/mol, XLogP of 2.33, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5-methyl-1,2-oxazol-4-yl)-(2-morpholin-4-yl-7-azaspiro[3.5]nonan-7-yl)methanone;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 118742417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).