4-[(7-methoxy-5-thia-2-azaspiro[3.4]octan-2-yl)methyl]-3,5-dimethyl-1,2-oxazole;2,2,2-trifluoroacetic acid

C15H21F3N2O4S — CID 155830653

IUPAC4-[(7-methoxy-5-thia-2-azaspiro[3.4]octan-2-yl)methyl]-3,5-dimethyl-1,2-oxazole;2,2,2-trifluoroacetic acid
SMILESCOC1CSC2(C1)CN(Cc1c(C)noc1C)C2.O=C(O)C(F)(F)F
InChIInChI=1S/C13H20N2O2S.C2HF3O2/c1-9-12(10(2)17-14-9)5-15-7-13(8-15)4-11(16-3)6-18-13;3-2(4,5)1(6)7/h11H,4-8H2,1-3H3;(H,6,7)
InChIKeyUGJLXINHJISDHF-UHFFFAOYSA-N
MW382.40 g/mol
LogP2.63
Rot. Bonds3

About 4-[(7-methoxy-5-thia-2-azaspiro[3.4]octan-2-yl)methyl]-3,5-dimethyl-1,2-oxazole;2,2,2-trifluoroacetic acid

4-[(7-methoxy-5-thia-2-azaspiro[3.4]octan-2-yl)methyl]-3,5-dimethyl-1,2-oxazole;2,2,2-trifluoroacetic acid (PubChem CID 155830653) has the molecular formula C15H21F3N2O4S and a molecular weight of 382.40 g/mol. Its IUPAC name is 4-[(7-methoxy-5-thia-2-azaspiro[3.4]octan-2-yl)methyl]-3,5-dimethyl-1,2-oxazole;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name4-[(7-methoxy-5-thia-2-azaspiro[3.4]octan-2-yl)methyl]-3,5-dimethyl-1,2-oxazole;2,2,2-trifluoroacetic acid
PubChem CID155830653
Molecular FormulaC15H21F3N2O4S
Molecular Weight382.40 g/mol
Exact Mass382.12
IUPAC Name4-[(7-methoxy-5-thia-2-azaspiro[3.4]octan-2-yl)methyl]-3,5-dimethyl-1,2-oxazole;2,2,2-trifluoroacetic acid
SMILESCOC1CSC2(C1)CN(Cc1c(C)noc1C)C2.O=C(O)C(F)(F)F
InChIInChI=1S/C13H20N2O2S.C2HF3O2/c1-9-12(10(2)17-14-9)5-15-7-13(8-15)4-11(16-3)6-18-13;3-2(4,5)1(6)7/h11H,4-8H2,1-3H3;(H,6,7)
InChIKeyUGJLXINHJISDHF-UHFFFAOYSA-N
XLogP2.63
TPSA75.80 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.40
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 4-[(7-methoxy-5-thia-2-azaspiro[3.4]octan-2-yl)methyl]-3,5-dimethyl-1,2-oxazole;2,2,2-trifluoroacetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[(2-methoxy-7-azaspiro[3.5]nonan-7-yl)methyl]-3,5-dimethyl-1,2-oxazole;2,2,2-trifluoroacetic acid
CID 155840703
2-[[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-5-thia-2-azaspiro[3.4]octan-7-yl]oxy]-N,N-dimethylacetamide
CID 131662609
7-methoxy-2-[(5-methylfuran-2-yl)methyl]-5-thia-2-azaspiro[3.4]octane;2,2,2-trifluoroacetic acid
CID 155839865
7-ethoxy-2-[(4-methyl-1,3-thiazol-5-yl)methyl]-5-thia-2-azaspiro[3.4]octane;2,2,2-trifluoroacetic acid
CID 155831298
(7-methoxy-5-thia-2-azaspiro[3.4]octan-2-yl)-pyridin-4-ylmethanone;2,2,2-trifluoroacetic acid
CID 155839474
7-[(3-fluoro-2-pyridinyl)oxy]-2-[(4-methyl-1,3-thiazol-5-yl)methyl]-5-thia-2-azaspiro[3.4]octane;2,2,2-trifluoroacetic acid
CID 155836903
8-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-pyrrolidin-1-yl-1-oxa-8-azaspiro[4.5]decane;bis(2,2,2-trifluoroacetic acid)
CID 155839229
3,5-dimethyl-4-[[2-(pyridin-2-ylmethyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]methyl]-1,2-oxazole;bis(2,2,2-trifluoroacetic acid)
CID 171688693
2-[(3-methylphenyl)methyl]-7-(pyridin-3-ylmethoxy)-5-thia-2-azaspiro[3.4]octane;bis(2,2,2-trifluoroacetic acid)
CID 155862399
N-cyclopropyl-9-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2,9-diazaspiro[4.5]decane-2-carboxamide;2,2,2-trifluoroacetic acid
CID 118744022
7-ethoxy-2-(pyridin-3-ylmethyl)-5-thia-2-azaspiro[3.4]octane;2,2,2-trifluoroacetic acid
CID 171694485
3,5-dimethyl-4-[[8-(2-pyrrolidin-1-ylethyl)-1,8-diazaspiro[4.5]decan-1-yl]methyl]-1,2-oxazole;tris(2,2,2-trifluoroacetic acid)
CID 155835984

Frequently Asked Questions

What is the IUPAC name of 4-[(7-methoxy-5-thia-2-azaspiro[3.4]octan-2-yl)methyl]-3,5-dimethyl-1,2-oxazole;2,2,2-trifluoroacetic acid?
The IUPAC name of 4-[(7-methoxy-5-thia-2-azaspiro[3.4]octan-2-yl)methyl]-3,5-dimethyl-1,2-oxazole;2,2,2-trifluoroacetic acid (CID 155830653) is 4-[(7-methoxy-5-thia-2-azaspiro[3.4]octan-2-yl)methyl]-3,5-dimethyl-1,2-oxazole;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 4-[(7-methoxy-5-thia-2-azaspiro[3.4]octan-2-yl)methyl]-3,5-dimethyl-1,2-oxazole;2,2,2-trifluoroacetic acid?
The canonical SMILES for 4-[(7-methoxy-5-thia-2-azaspiro[3.4]octan-2-yl)methyl]-3,5-dimethyl-1,2-oxazole;2,2,2-trifluoroacetic acid is COC1CSC2(C1)CN(Cc1c(C)noc1C)C2.O=C(O)C(F)(F)F.
What is the InChIKey of 4-[(7-methoxy-5-thia-2-azaspiro[3.4]octan-2-yl)methyl]-3,5-dimethyl-1,2-oxazole;2,2,2-trifluoroacetic acid?
The InChIKey is UGJLXINHJISDHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2S.C2HF3O2/c1-9-12(10(2)17-14-9)5-15-7-13(8-15)4-11(16-3)6-18-13;3-2(4,5)1(6)7/h11H,4-8H2,1-3H3;(H,6,7).
What are the key properties of 4-[(7-methoxy-5-thia-2-azaspiro[3.4]octan-2-yl)methyl]-3,5-dimethyl-1,2-oxazole;2,2,2-trifluoroacetic acid?
4-[(7-methoxy-5-thia-2-azaspiro[3.4]octan-2-yl)methyl]-3,5-dimethyl-1,2-oxazole;2,2,2-trifluoroacetic acid has a molecular weight of 382.40 g/mol, XLogP of 2.63, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(7-methoxy-5-thia-2-azaspiro[3.4]octan-2-yl)methyl]-3,5-dimethyl-1,2-oxazole;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 155830653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).