(4-methyl-1,3-oxazol-5-yl)-[4-(2-pyridin-2-yloxyethyl)-1-oxa-8-azaspiro[4.5]decan-8-yl]methanone;2,2,2-trifluoroacetic acid

C22H26F3N3O6 — CID 155862106

IUPAC(4-methyl-1,3-oxazol-5-yl)-[4-(2-pyridin-2-yloxyethyl)-1-oxa-8-azaspiro[4.5]decan-8-yl]methanone;2,2,2-trifluoroacetic acid
SMILESCc1ncoc1C(=O)N1CCC2(CC1)OCCC2CCOc1ccccn1.O=C(O)C(F)(F)F
InChIInChI=1S/C20H25N3O4.C2HF3O2/c1-15-18(26-14-22-15)19(24)23-10-7-20(8-11-23)16(6-13-27-20)5-12-25-17-4-2-3-9-21-17;3-2(4,5)1(6)7/h2-4,9,14,16H,5-8,10-13H2,1H3;(H,6,7)
InChIKeyRAEQWAVEFOEMGY-UHFFFAOYSA-N
MW485.46 g/mol
LogP3.49
Rot. Bonds5

About (4-methyl-1,3-oxazol-5-yl)-[4-(2-pyridin-2-yloxyethyl)-1-oxa-8-azaspiro[4.5]decan-8-yl]methanone;2,2,2-trifluoroacetic acid

(4-methyl-1,3-oxazol-5-yl)-[4-(2-pyridin-2-yloxyethyl)-1-oxa-8-azaspiro[4.5]decan-8-yl]methanone;2,2,2-trifluoroacetic acid (PubChem CID 155862106) has the molecular formula C22H26F3N3O6 and a molecular weight of 485.46 g/mol. Its IUPAC name is (4-methyl-1,3-oxazol-5-yl)-[4-(2-pyridin-2-yloxyethyl)-1-oxa-8-azaspiro[4.5]decan-8-yl]methanone;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name(4-methyl-1,3-oxazol-5-yl)-[4-(2-pyridin-2-yloxyethyl)-1-oxa-8-azaspiro[4.5]decan-8-yl]methanone;2,2,2-trifluoroacetic acid
PubChem CID155862106
Molecular FormulaC22H26F3N3O6
Molecular Weight485.46 g/mol
Exact Mass485.18
IUPAC Name(4-methyl-1,3-oxazol-5-yl)-[4-(2-pyridin-2-yloxyethyl)-1-oxa-8-azaspiro[4.5]decan-8-yl]methanone;2,2,2-trifluoroacetic acid
SMILESCc1ncoc1C(=O)N1CCC2(CC1)OCCC2CCOc1ccccn1.O=C(O)C(F)(F)F
InChIInChI=1S/C20H25N3O4.C2HF3O2/c1-15-18(26-14-22-15)19(24)23-10-7-20(8-11-23)16(6-13-27-20)5-12-25-17-4-2-3-9-21-17;3-2(4,5)1(6)7/h2-4,9,14,16H,5-8,10-13H2,1H3;(H,6,7)
InChIKeyRAEQWAVEFOEMGY-UHFFFAOYSA-N
XLogP3.49
TPSA114.99 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.46
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze (4-methyl-1,3-oxazol-5-yl)-[4-(2-pyridin-2-yloxyethyl)-1-oxa-8-azaspiro[4.5]decan-8-yl]methanone;2,2,2-trifluoroacetic acid with MolForge

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Launch Full Analysis

Related Compounds

US9828368, Example 39
CID 117858071
US9828368, Example 38
CID 117858076
N-{[2-(3,4-Difluorophenoxy)pyridin-3-YL]methyl}-2-ethyl-4-methyl-1,3-oxazole-5-carboxamide
CID 56755717
1,3-oxazol-5-yl-[(3S,4S)-3-pyridin-2-yl-4-(pyridin-3-yloxymethyl)pyrrolidin-1-yl]methanone
CID 110203298
N-{[2-(2,4-Difluorophenoxy)pyridin-3-YL]methyl}-2-ethyl-4-methyl-1,3-oxazole-5-carboxamide
CID 56739433
1,3-Oxazol-4-yl-(3-pyridin-2-yloxy-1-oxa-8-azaspiro[4.5]decan-8-yl)methanone;2,2,2-trifluoroacetic acid
CID 118743040
[8-(Furan-2-carbonyl)-2,8-diazaspiro[4.5]decan-2-yl]-pyridin-3-ylmethanone;2,2,2-trifluoroacetic acid
CID 118744847
N-[(2-butoxy-3-pyridinyl)methyl]-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide
CID 126836254
[(3aS,6aS)-3a-(pyridin-3-ylmethoxymethyl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-2-yl]-(4-methyl-1,3-oxazol-5-yl)methanone;2,2,2-trifluoroacetic acid
CID 127023542
[2-(2,2-difluoroethoxy)-3-pyridinyl]-[(2R)-5-[4-(2-hydroxypropan-2-yl)-5-methyl-1,3-oxazol-2-yl]-2-methylpiperidin-1-yl]methanone
CID 139565526
4-methyl-N-({2-[3-(trifluoromethyl)phenoxy]-3-pyridinyl}methyl)-1,3-oxazole-5-carboxamide
CID 42095467
{4,4-Difluoro-3-[(3-pyridylmethoxy)methyl]piperidino}(4-methyl-1,3-oxazol-5-yl)methanone
CID 124051352

Frequently Asked Questions

What is the IUPAC name of (4-methyl-1,3-oxazol-5-yl)-[4-(2-pyridin-2-yloxyethyl)-1-oxa-8-azaspiro[4.5]decan-8-yl]methanone;2,2,2-trifluoroacetic acid?
The IUPAC name of (4-methyl-1,3-oxazol-5-yl)-[4-(2-pyridin-2-yloxyethyl)-1-oxa-8-azaspiro[4.5]decan-8-yl]methanone;2,2,2-trifluoroacetic acid (CID 155862106) is (4-methyl-1,3-oxazol-5-yl)-[4-(2-pyridin-2-yloxyethyl)-1-oxa-8-azaspiro[4.5]decan-8-yl]methanone;2,2,2-trifluoroacetic acid.
What is the SMILES notation for (4-methyl-1,3-oxazol-5-yl)-[4-(2-pyridin-2-yloxyethyl)-1-oxa-8-azaspiro[4.5]decan-8-yl]methanone;2,2,2-trifluoroacetic acid?
The canonical SMILES for (4-methyl-1,3-oxazol-5-yl)-[4-(2-pyridin-2-yloxyethyl)-1-oxa-8-azaspiro[4.5]decan-8-yl]methanone;2,2,2-trifluoroacetic acid is Cc1ncoc1C(=O)N1CCC2(CC1)OCCC2CCOc1ccccn1.O=C(O)C(F)(F)F.
What is the InChIKey of (4-methyl-1,3-oxazol-5-yl)-[4-(2-pyridin-2-yloxyethyl)-1-oxa-8-azaspiro[4.5]decan-8-yl]methanone;2,2,2-trifluoroacetic acid?
The InChIKey is RAEQWAVEFOEMGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O4.C2HF3O2/c1-15-18(26-14-22-15)19(24)23-10-7-20(8-11-23)16(6-13-27-20)5-12-25-17-4-2-3-9-21-17;3-2(4,5)1(6)7/h2-4,9,14,16H,5-8,10-13H2,1H3;(H,6,7).
What are the key properties of (4-methyl-1,3-oxazol-5-yl)-[4-(2-pyridin-2-yloxyethyl)-1-oxa-8-azaspiro[4.5]decan-8-yl]methanone;2,2,2-trifluoroacetic acid?
(4-methyl-1,3-oxazol-5-yl)-[4-(2-pyridin-2-yloxyethyl)-1-oxa-8-azaspiro[4.5]decan-8-yl]methanone;2,2,2-trifluoroacetic acid has a molecular weight of 485.46 g/mol, XLogP of 3.49, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methyl-1,3-oxazol-5-yl)-[4-(2-pyridin-2-yloxyethyl)-1-oxa-8-azaspiro[4.5]decan-8-yl]methanone;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 155862106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).