N-[[(3aR,6aR)-5-propan-2-yl-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3a-yl]methyl]-1,2-oxazole-5-carboxamide;2,2,2-trifluoroacetic acid

C16H22F3N3O5 — CID 155837146

IUPACN-[[(3aR,6aR)-5-propan-2-yl-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3a-yl]methyl]-1,2-oxazole-5-carboxamide;2,2,2-trifluoroacetic acid
SMILESCC(C)N1C[C@@H]2COC[C@]2(CNC(=O)c2ccno2)C1.O=C(O)C(F)(F)F
InChIInChI=1S/C14H21N3O3.C2HF3O2/c1-10(2)17-5-11-6-19-9-14(11,8-17)7-15-13(18)12-3-4-16-20-12;3-2(4,5)1(6)7/h3-4,10-11H,5-9H2,1-2H3,(H,15,18);(H,6,7)/t11-,14+;/m1./s1
InChIKeyPGCMGYXSNBDOHY-GGMFNZDASA-N
MW393.36 g/mol
LogP1.39
Rot. Bonds4

About N-[[(3aR,6aR)-5-propan-2-yl-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3a-yl]methyl]-1,2-oxazole-5-carboxamide;2,2,2-trifluoroacetic acid

N-[[(3aR,6aR)-5-propan-2-yl-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3a-yl]methyl]-1,2-oxazole-5-carboxamide;2,2,2-trifluoroacetic acid (PubChem CID 155837146) has the molecular formula C16H22F3N3O5 and a molecular weight of 393.36 g/mol. Its IUPAC name is N-[[(3aR,6aR)-5-propan-2-yl-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3a-yl]methyl]-1,2-oxazole-5-carboxamide;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound NameN-[[(3aR,6aR)-5-propan-2-yl-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3a-yl]methyl]-1,2-oxazole-5-carboxamide;2,2,2-trifluoroacetic acid
PubChem CID155837146
Molecular FormulaC16H22F3N3O5
Molecular Weight393.36 g/mol
Exact Mass393.15
IUPAC NameN-[[(3aR,6aR)-5-propan-2-yl-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3a-yl]methyl]-1,2-oxazole-5-carboxamide;2,2,2-trifluoroacetic acid
SMILESCC(C)N1C[C@@H]2COC[C@]2(CNC(=O)c2ccno2)C1.O=C(O)C(F)(F)F
InChIInChI=1S/C14H21N3O3.C2HF3O2/c1-10(2)17-5-11-6-19-9-14(11,8-17)7-15-13(18)12-3-4-16-20-12;3-2(4,5)1(6)7/h3-4,10-11H,5-9H2,1-2H3,(H,15,18);(H,6,7)/t11-,14+;/m1./s1
InChIKeyPGCMGYXSNBDOHY-GGMFNZDASA-N
XLogP1.39
TPSA104.90 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.36
LogP ≤ 51.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[[(3aR,6aR)-5-propan-2-yl-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3a-yl]methyl]-1,2-oxazole-5-carboxamide;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

2-[(3aS,6aR)-5-propan-2-yl-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3a-yl]-N-(pyridin-3-ylmethyl)acetamide;bis(2,2,2-trifluoroacetic acid)
CID 155838043
N-[[(3aR,6aR)-5-(pyridin-4-ylmethyl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3a-yl]methyl]furan-2-carboxamide;bis(2,2,2-trifluoroacetic acid)
CID 127023769
N-[[(3aR,6aR)-5-[(5-methyl-1,2-oxazol-3-yl)methyl]-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3a-yl]methyl]furan-2-carboxamide;2,2,2-trifluoroacetic acid
CID 127022112
N-[[(3aR,6aR)-5-(furan-3-ylmethyl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3a-yl]methyl]-3-methylbutanamide;2,2,2-trifluoroacetic acid
CID 155855935
N-[[(3aR,6aR)-5-(thiophen-2-ylmethyl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3a-yl]methyl]pyridine-3-carboxamide;bis(2,2,2-trifluoroacetic acid)
CID 155829976
N-[[(3aR,6aR)-5-(6-methoxypyrimidin-4-yl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3a-yl]methyl]benzamide;2,2,2-trifluoroacetic acid
CID 155825939
N-[[(3aS,6aR)-5-(2-phenylethyl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3a-yl]methyl]ethanesulfonamide;2,2,2-trifluoroacetic acid
CID 127021879
N-[[(3aR,6aR)-5-[(1-methylpyrazol-4-yl)methyl]-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3a-yl]methyl]thiophene-3-carboxamide;2,2,2-trifluoroacetic acid
CID 127023545
N-[(3-methyloxetan-3-yl)methyl]-1,2-oxazole-5-carboxamide
CID 115825220
N-[[(3aS,6aS)-5-benzyl-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3a-yl]methyl]-5-methyl-1,2-oxazole-4-carboxamide
CID 124835176
N-[[(3aR,6aR)-5-benzyl-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3a-yl]methyl]-5-methyl-1,2-oxazole-4-carboxamide
CID 97420711
N-[[(3aR,6aR)-5-(pyridin-2-ylmethyl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3a-yl]methyl]-1,3-thiazole-4-carboxamide;2,2,2-trifluoroacetic acid
CID 171696737

Frequently Asked Questions

What is the IUPAC name of N-[[(3aR,6aR)-5-propan-2-yl-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3a-yl]methyl]-1,2-oxazole-5-carboxamide;2,2,2-trifluoroacetic acid?
The IUPAC name of N-[[(3aR,6aR)-5-propan-2-yl-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3a-yl]methyl]-1,2-oxazole-5-carboxamide;2,2,2-trifluoroacetic acid (CID 155837146) is N-[[(3aR,6aR)-5-propan-2-yl-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3a-yl]methyl]-1,2-oxazole-5-carboxamide;2,2,2-trifluoroacetic acid.
What is the SMILES notation for N-[[(3aR,6aR)-5-propan-2-yl-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3a-yl]methyl]-1,2-oxazole-5-carboxamide;2,2,2-trifluoroacetic acid?
The canonical SMILES for N-[[(3aR,6aR)-5-propan-2-yl-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3a-yl]methyl]-1,2-oxazole-5-carboxamide;2,2,2-trifluoroacetic acid is CC(C)N1C[C@@H]2COC[C@]2(CNC(=O)c2ccno2)C1.O=C(O)C(F)(F)F.
What is the InChIKey of N-[[(3aR,6aR)-5-propan-2-yl-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3a-yl]methyl]-1,2-oxazole-5-carboxamide;2,2,2-trifluoroacetic acid?
The InChIKey is PGCMGYXSNBDOHY-GGMFNZDASA-N. The full InChI is InChI=1S/C14H21N3O3.C2HF3O2/c1-10(2)17-5-11-6-19-9-14(11,8-17)7-15-13(18)12-3-4-16-20-12;3-2(4,5)1(6)7/h3-4,10-11H,5-9H2,1-2H3,(H,15,18);(H,6,7)/t11-,14+;/m1./s1.
What are the key properties of N-[[(3aR,6aR)-5-propan-2-yl-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3a-yl]methyl]-1,2-oxazole-5-carboxamide;2,2,2-trifluoroacetic acid?
N-[[(3aR,6aR)-5-propan-2-yl-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3a-yl]methyl]-1,2-oxazole-5-carboxamide;2,2,2-trifluoroacetic acid has a molecular weight of 393.36 g/mol, XLogP of 1.39, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(3aR,6aR)-5-propan-2-yl-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3a-yl]methyl]-1,2-oxazole-5-carboxamide;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 155837146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).