[1-(2-methylpropyl)-1,7-diazaspiro[4.4]nonan-7-yl]-(1,2-oxazol-5-yl)methanone;2,2,2-trifluoroacetic acid

C17H24F3N3O4 — CID 155839129

IUPAC[1-(2-methylpropyl)-1,7-diazaspiro[4.4]nonan-7-yl]-(1,2-oxazol-5-yl)methanone;2,2,2-trifluoroacetic acid
SMILESCC(C)CN1CCCC12CCN(C(=O)c1ccno1)C2.O=C(O)C(F)(F)F
InChIInChI=1S/C15H23N3O2.C2HF3O2/c1-12(2)10-18-8-3-5-15(18)6-9-17(11-15)14(19)13-4-7-16-20-13;3-2(4,5)1(6)7/h4,7,12H,3,5-6,8-11H2,1-2H3;(H,6,7)
InChIKeyMWWYULWGNIFHFI-UHFFFAOYSA-N
MW391.39 g/mol
LogP2.64
Rot. Bonds3

About [1-(2-methylpropyl)-1,7-diazaspiro[4.4]nonan-7-yl]-(1,2-oxazol-5-yl)methanone;2,2,2-trifluoroacetic acid

[1-(2-methylpropyl)-1,7-diazaspiro[4.4]nonan-7-yl]-(1,2-oxazol-5-yl)methanone;2,2,2-trifluoroacetic acid (PubChem CID 155839129) has the molecular formula C17H24F3N3O4 and a molecular weight of 391.39 g/mol. Its IUPAC name is [1-(2-methylpropyl)-1,7-diazaspiro[4.4]nonan-7-yl]-(1,2-oxazol-5-yl)methanone;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name[1-(2-methylpropyl)-1,7-diazaspiro[4.4]nonan-7-yl]-(1,2-oxazol-5-yl)methanone;2,2,2-trifluoroacetic acid
PubChem CID155839129
Molecular FormulaC17H24F3N3O4
Molecular Weight391.39 g/mol
Exact Mass391.17
IUPAC Name[1-(2-methylpropyl)-1,7-diazaspiro[4.4]nonan-7-yl]-(1,2-oxazol-5-yl)methanone;2,2,2-trifluoroacetic acid
SMILESCC(C)CN1CCCC12CCN(C(=O)c1ccno1)C2.O=C(O)C(F)(F)F
InChIInChI=1S/C15H23N3O2.C2HF3O2/c1-12(2)10-18-8-3-5-15(18)6-9-17(11-15)14(19)13-4-7-16-20-13;3-2(4,5)1(6)7/h4,7,12H,3,5-6,8-11H2,1-2H3;(H,6,7)
InChIKeyMWWYULWGNIFHFI-UHFFFAOYSA-N
XLogP2.64
TPSA86.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.39
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-methyl-1-[(5R)-7-(1,2-oxazole-5-carbonyl)-1,7-diazaspiro[4.4]nonan-1-yl]propan-1-one
CID 97473084
(5-chloro-2-fluorophenyl)-[1-(2-methylpropyl)-1,8-diazaspiro[3.5]nonan-8-yl]methanone;2,2,2-trifluoroacetic acid
CID 155867909
[(5R)-1-(2-methoxyethyl)-1,9-diazaspiro[4.5]decan-9-yl]-(1,2-oxazol-5-yl)methanone
CID 97473242
[1-(2-methylpropyl)-1,8-diazaspiro[3.5]nonan-8-yl]-[2-(trifluoromethyl)-4-pyridinyl]methanone
CID 131678690
2-[4-(1,2-oxazole-5-carbonyl)piperazin-1-yl]propanoic acid
CID 62317773
2-oxa-7-azaspiro[4.4]nonan-7-yl(1,2-oxazol-5-yl)methanone
CID 131641455
(1-ethyl-1,8-diazaspiro[4.5]decan-8-yl)-(1-methylimidazol-2-yl)methanone;2,2,2-trifluoroacetic acid
CID 118742793
[(5S)-1-benzyl-1,7-diazaspiro[4.4]nonan-7-yl]-pyridin-4-ylmethanone
CID 95043573
(3,3-dimethylazetidin-1-yl)-(1,2-oxazol-5-yl)methanone
CID 130666904
[1-(3-fluorophenyl)-1,2,4-triazol-3-yl]-[1-(2-methylpropyl)-1,8-diazaspiro[3.5]nonan-8-yl]methanone
CID 131678682
[1-(2-methoxyethyl)-1,7-diazaspiro[3.4]octan-7-yl]-(1-methylimidazol-2-yl)methanone;2,2,2-trifluoroacetic acid
CID 155850676
(5-chloro-2-fluorophenyl)-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1,8-diazaspiro[3.5]nonan-8-yl]methanone;2,2,2-trifluoroacetic acid
CID 155867077

Frequently Asked Questions

What is the IUPAC name of [1-(2-methylpropyl)-1,7-diazaspiro[4.4]nonan-7-yl]-(1,2-oxazol-5-yl)methanone;2,2,2-trifluoroacetic acid?
The IUPAC name of [1-(2-methylpropyl)-1,7-diazaspiro[4.4]nonan-7-yl]-(1,2-oxazol-5-yl)methanone;2,2,2-trifluoroacetic acid (CID 155839129) is [1-(2-methylpropyl)-1,7-diazaspiro[4.4]nonan-7-yl]-(1,2-oxazol-5-yl)methanone;2,2,2-trifluoroacetic acid.
What is the SMILES notation for [1-(2-methylpropyl)-1,7-diazaspiro[4.4]nonan-7-yl]-(1,2-oxazol-5-yl)methanone;2,2,2-trifluoroacetic acid?
The canonical SMILES for [1-(2-methylpropyl)-1,7-diazaspiro[4.4]nonan-7-yl]-(1,2-oxazol-5-yl)methanone;2,2,2-trifluoroacetic acid is CC(C)CN1CCCC12CCN(C(=O)c1ccno1)C2.O=C(O)C(F)(F)F.
What is the InChIKey of [1-(2-methylpropyl)-1,7-diazaspiro[4.4]nonan-7-yl]-(1,2-oxazol-5-yl)methanone;2,2,2-trifluoroacetic acid?
The InChIKey is MWWYULWGNIFHFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O2.C2HF3O2/c1-12(2)10-18-8-3-5-15(18)6-9-17(11-15)14(19)13-4-7-16-20-13;3-2(4,5)1(6)7/h4,7,12H,3,5-6,8-11H2,1-2H3;(H,6,7).
What are the key properties of [1-(2-methylpropyl)-1,7-diazaspiro[4.4]nonan-7-yl]-(1,2-oxazol-5-yl)methanone;2,2,2-trifluoroacetic acid?
[1-(2-methylpropyl)-1,7-diazaspiro[4.4]nonan-7-yl]-(1,2-oxazol-5-yl)methanone;2,2,2-trifluoroacetic acid has a molecular weight of 391.39 g/mol, XLogP of 2.64, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-methylpropyl)-1,7-diazaspiro[4.4]nonan-7-yl]-(1,2-oxazol-5-yl)methanone;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 155839129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).