(3aS,6aR)-5-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3a-(oxan-4-ylmethoxymethyl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrole;2,2,2-trifluoroacetic acid

C21H31F3N2O6 — CID 155837498

IUPAC(3aS,6aR)-5-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3a-(oxan-4-ylmethoxymethyl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrole;2,2,2-trifluoroacetic acid
SMILESCc1noc(C)c1CN1C[C@@H]2COC[C@]2(COCC2CCOCC2)C1.O=C(O)C(F)(F)F
InChIInChI=1S/C19H30N2O4.C2HF3O2/c1-14-18(15(2)25-20-14)8-21-7-17-10-24-13-19(17,11-21)12-23-9-16-3-5-22-6-4-16;3-2(4,5)1(6)7/h16-17H,3-13H2,1-2H3;(H,6,7)/t17-,19-;/m1./s1
InChIKeyHWUAEHYAVHFBOB-POCMBTLOSA-N
MW464.48 g/mol
LogP2.82
Rot. Bonds6

About (3aS,6aR)-5-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3a-(oxan-4-ylmethoxymethyl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrole;2,2,2-trifluoroacetic acid

(3aS,6aR)-5-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3a-(oxan-4-ylmethoxymethyl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrole;2,2,2-trifluoroacetic acid (PubChem CID 155837498) has the molecular formula C21H31F3N2O6 and a molecular weight of 464.48 g/mol. Its IUPAC name is (3aS,6aR)-5-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3a-(oxan-4-ylmethoxymethyl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrole;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name(3aS,6aR)-5-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3a-(oxan-4-ylmethoxymethyl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrole;2,2,2-trifluoroacetic acid
PubChem CID155837498
Molecular FormulaC21H31F3N2O6
Molecular Weight464.48 g/mol
Exact Mass464.21
IUPAC Name(3aS,6aR)-5-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3a-(oxan-4-ylmethoxymethyl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrole;2,2,2-trifluoroacetic acid
SMILESCc1noc(C)c1CN1C[C@@H]2COC[C@]2(COCC2CCOCC2)C1.O=C(O)C(F)(F)F
InChIInChI=1S/C19H30N2O4.C2HF3O2/c1-14-18(15(2)25-20-14)8-21-7-17-10-24-13-19(17,11-21)12-23-9-16-3-5-22-6-4-16;3-2(4,5)1(6)7/h16-17H,3-13H2,1-2H3;(H,6,7)/t17-,19-;/m1./s1
InChIKeyHWUAEHYAVHFBOB-POCMBTLOSA-N
XLogP2.82
TPSA94.26 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.48
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze (3aS,6aR)-5-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3a-(oxan-4-ylmethoxymethyl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrole;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

(3R,3aR,6aS)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-[(1-methylpiperidin-4-yl)methoxy]-2,3,3a,4,6,6a-hexahydrofuro[3,4-b]pyrrole
CID 97386617
4-[[(3aR,6aS)-1-(oxan-4-ylmethyl)-2,3,3a,5,6,6a-hexahydropyrrolo[3,2-b]pyrrol-4-yl]methyl]-3,5-dimethyl-1,2-oxazole
CID 124234807
4-[[2-(Cyclopentylmethyl)-2,7-diazaspiro[4.5]decan-7-yl]methyl]-3,5-dimethyl-1,2-oxazole;2,2,2-trifluoroacetic acid
CID 118742465
4-[[(3aR,6aS)-1-(oxan-4-ylmethyl)-2,3,3a,5,6,6a-hexahydropyrrolo[3,2-b]pyrrol-4-yl]methyl]-3,5-dimethyl-1,2-oxazole;bis(2,2,2-trifluoroacetic acid)
CID 127021517
2-[[(3R,3aR,6aS)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2,3,3a,4,6,6a-hexahydrofuro[3,4-b]pyrrol-3-yl]oxy]-N,N-dimethylacetamide;2,2,2-trifluoroacetic acid
CID 127022038
(3R,3aR,6aS)-3-(cyclopropylmethoxy)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2,3,3a,4,6,6a-hexahydrofuro[3,4-b]pyrrole;2,2,2-trifluoroacetic acid
CID 127022043
(2R,3aS,6aS)-5-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2-methyl-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrole;2,2,2-trifluoroacetic acid
CID 127022092
1-[(3aR,6aR)-5-[(5-methyl-1,2-oxazol-3-yl)methyl]-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3a-yl]-N,N-dimethylmethanamine;bis(2,2,2-trifluoroacetic acid)
CID 127023595
(3R,3aR,6aS)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-[(1-methylpiperidin-4-yl)methoxy]-2,3,3a,4,6,6a-hexahydrofuro[3,4-b]pyrrole;bis(2,2,2-trifluoroacetic acid)
CID 127023754
1-[(3,5-Dimethyl-1,2-oxazol-4-yl)methyl]-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid
CID 63708565
3,5-Dimethyl-4-[[1-(oxan-4-ylmethyl)-2,3,3a,5,6,6a-hexahydropyrrolo[3,2-b]pyrrol-4-yl]methyl]-1,2-oxazole;bis(2,2,2-trifluoroacetic acid)
CID 118751961
(3aS,6aR)-3a-(cyclobutylmethoxymethyl)-5-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrole;2,2,2-trifluoroacetic acid
CID 155824400

Frequently Asked Questions

What is the IUPAC name of (3aS,6aR)-5-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3a-(oxan-4-ylmethoxymethyl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrole;2,2,2-trifluoroacetic acid?
The IUPAC name of (3aS,6aR)-5-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3a-(oxan-4-ylmethoxymethyl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrole;2,2,2-trifluoroacetic acid (CID 155837498) is (3aS,6aR)-5-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3a-(oxan-4-ylmethoxymethyl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrole;2,2,2-trifluoroacetic acid.
What is the SMILES notation for (3aS,6aR)-5-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3a-(oxan-4-ylmethoxymethyl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrole;2,2,2-trifluoroacetic acid?
The canonical SMILES for (3aS,6aR)-5-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3a-(oxan-4-ylmethoxymethyl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrole;2,2,2-trifluoroacetic acid is Cc1noc(C)c1CN1C[C@@H]2COC[C@]2(COCC2CCOCC2)C1.O=C(O)C(F)(F)F.
What is the InChIKey of (3aS,6aR)-5-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3a-(oxan-4-ylmethoxymethyl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrole;2,2,2-trifluoroacetic acid?
The InChIKey is HWUAEHYAVHFBOB-POCMBTLOSA-N. The full InChI is InChI=1S/C19H30N2O4.C2HF3O2/c1-14-18(15(2)25-20-14)8-21-7-17-10-24-13-19(17,11-21)12-23-9-16-3-5-22-6-4-16;3-2(4,5)1(6)7/h16-17H,3-13H2,1-2H3;(H,6,7)/t17-,19-;/m1./s1.
What are the key properties of (3aS,6aR)-5-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3a-(oxan-4-ylmethoxymethyl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrole;2,2,2-trifluoroacetic acid?
(3aS,6aR)-5-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3a-(oxan-4-ylmethoxymethyl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrole;2,2,2-trifluoroacetic acid has a molecular weight of 464.48 g/mol, XLogP of 2.82, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (3aS,6aR)-5-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3a-(oxan-4-ylmethoxymethyl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrole;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 155837498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).