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

C18H26F3N3O5 — CID 155833292

IUPAC(3aR,6aR)-5-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-propan-2-yl-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrole-3a-carboxamide;2,2,2-trifluoroacetic acid
SMILESCc1noc(C)c1CN1C[C@@H]2COC[C@]2(C(=O)NC(C)C)C1.O=C(O)C(F)(F)F
InChIInChI=1S/C16H25N3O3.C2HF3O2/c1-10(2)17-15(20)16-8-19(5-13(16)7-21-9-16)6-14-11(3)18-22-12(14)4;3-2(4,5)1(6)7/h10,13H,5-9H2,1-4H3,(H,17,20);(H,6,7)/t13-,16-;/m1./s1
InChIKeyCPYZVORATHRDRV-OALZAMAHSA-N
MW421.42 g/mol
LogP1.90
Rot. Bonds4

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

(3aR,6aR)-5-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-propan-2-yl-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrole-3a-carboxamide;2,2,2-trifluoroacetic acid (PubChem CID 155833292) has the molecular formula C18H26F3N3O5 and a molecular weight of 421.42 g/mol. Its IUPAC name is (3aR,6aR)-5-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-propan-2-yl-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrole-3a-carboxamide;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name(3aR,6aR)-5-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-propan-2-yl-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrole-3a-carboxamide;2,2,2-trifluoroacetic acid
PubChem CID155833292
Molecular FormulaC18H26F3N3O5
Molecular Weight421.42 g/mol
Exact Mass421.18
IUPAC Name(3aR,6aR)-5-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-propan-2-yl-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrole-3a-carboxamide;2,2,2-trifluoroacetic acid
SMILESCc1noc(C)c1CN1C[C@@H]2COC[C@]2(C(=O)NC(C)C)C1.O=C(O)C(F)(F)F
InChIInChI=1S/C16H25N3O3.C2HF3O2/c1-10(2)17-15(20)16-8-19(5-13(16)7-21-9-16)6-14-11(3)18-22-12(14)4;3-2(4,5)1(6)7/h10,13H,5-9H2,1-4H3,(H,17,20);(H,6,7)/t13-,16-;/m1./s1
InChIKeyCPYZVORATHRDRV-OALZAMAHSA-N
XLogP1.90
TPSA104.90 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.42
LogP ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze (3aR,6aR)-5-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-propan-2-yl-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrole-3a-carboxamide;2,2,2-trifluoroacetic acid with MolForge

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Frequently Asked Questions

What is the IUPAC name of (3aR,6aR)-5-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-propan-2-yl-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrole-3a-carboxamide;2,2,2-trifluoroacetic acid?
The IUPAC name of (3aR,6aR)-5-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-propan-2-yl-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrole-3a-carboxamide;2,2,2-trifluoroacetic acid (CID 155833292) is (3aR,6aR)-5-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-propan-2-yl-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrole-3a-carboxamide;2,2,2-trifluoroacetic acid.
What is the SMILES notation for (3aR,6aR)-5-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-propan-2-yl-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrole-3a-carboxamide;2,2,2-trifluoroacetic acid?
The canonical SMILES for (3aR,6aR)-5-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-propan-2-yl-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrole-3a-carboxamide;2,2,2-trifluoroacetic acid is Cc1noc(C)c1CN1C[C@@H]2COC[C@]2(C(=O)NC(C)C)C1.O=C(O)C(F)(F)F.
What is the InChIKey of (3aR,6aR)-5-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-propan-2-yl-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrole-3a-carboxamide;2,2,2-trifluoroacetic acid?
The InChIKey is CPYZVORATHRDRV-OALZAMAHSA-N. The full InChI is InChI=1S/C16H25N3O3.C2HF3O2/c1-10(2)17-15(20)16-8-19(5-13(16)7-21-9-16)6-14-11(3)18-22-12(14)4;3-2(4,5)1(6)7/h10,13H,5-9H2,1-4H3,(H,17,20);(H,6,7)/t13-,16-;/m1./s1.
What are the key properties of (3aR,6aR)-5-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-propan-2-yl-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrole-3a-carboxamide;2,2,2-trifluoroacetic acid?
(3aR,6aR)-5-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-propan-2-yl-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrole-3a-carboxamide;2,2,2-trifluoroacetic acid has a molecular weight of 421.42 g/mol, XLogP of 1.90, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3aR,6aR)-5-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-propan-2-yl-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrole-3a-carboxamide;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 155833292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).