(2R,3aS,7aR)-6-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-propan-2-yl-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine-2-carboxamide;2,2,2-trifluoroacetic acid

C19H28F3N3O5 — CID 155833584

About (2R,3aS,7aR)-6-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-propan-2-yl-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine-2-carboxamide;2,2,2-trifluoroacetic acid

(2R,3aS,7aR)-6-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-propan-2-yl-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine-2-carboxamide;2,2,2-trifluoroacetic acid (PubChem CID 155833584) has the molecular formula C19H28F3N3O5 and a molecular weight of 435.44 g/mol. Its IUPAC name is (2R,3aS,7aR)-6-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-propan-2-yl-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine-2-carboxamide;2,2,2-trifluoroacetic acid.

Molecular Properties

• Compound Name: (2R,3aS,7aR)-6-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-propan-2-yl-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine-2-carboxamide;2,2,2-trifluoroacetic acid
• PubChem CID: 155833584
• Molecular Formula: C19H28F3N3O5
• Molecular Weight: 435.44 g/mol
• Exact Mass: 435.20
• IUPAC Name: (2R,3aS,7aR)-6-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-propan-2-yl-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine-2-carboxamide;2,2,2-trifluoroacetic acid
• SMILES: Cc1noc(C)c1CN1CC[C@H]2C[C@H](C(=O)NC(C)C)O[C@H]2C1.O=C(O)C(F)(F)F
• InChI: InChI=1S/C17H27N3O3.C2HF3O2/c1-10(2)18-17(21)15-7-13-5-6-20(9-16(13)22-15)8-14-11(3)19-23-12(14)4;3-2(4,5)1(6)7/h10,13,15-16H,5-9H2,1-4H3,(H,18,21);(H,6,7)/t13-,15+,16-;/m0./s1
• InChIKey: YSOZASKIERYLFP-KXUOJWSUSA-N
• XLogP: 2.43
• TPSA: 104.90 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	435.44
LogP ≤ 5	2.43
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of (2R,3aS,7aR)-6-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-propan-2-yl-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine-2-carboxamide;2,2,2-trifluoroacetic acid?

The IUPAC name of (2R,3aS,7aR)-6-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-propan-2-yl-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine-2-carboxamide;2,2,2-trifluoroacetic acid (CID 155833584) is (2R,3aS,7aR)-6-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-propan-2-yl-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine-2-carboxamide;2,2,2-trifluoroacetic acid.

What is the SMILES notation for (2R,3aS,7aR)-6-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-propan-2-yl-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine-2-carboxamide;2,2,2-trifluoroacetic acid?

The canonical SMILES for (2R,3aS,7aR)-6-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-propan-2-yl-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine-2-carboxamide;2,2,2-trifluoroacetic acid is Cc1noc(C)c1CN1CC[C@H]2C[C@H](C(=O)NC(C)C)O[C@H]2C1.O=C(O)C(F)(F)F.

What is the InChIKey of (2R,3aS,7aR)-6-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-propan-2-yl-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine-2-carboxamide;2,2,2-trifluoroacetic acid?

The InChIKey is YSOZASKIERYLFP-KXUOJWSUSA-N. The full InChI is InChI=1S/C17H27N3O3.C2HF3O2/c1-10(2)18-17(21)15-7-13-5-6-20(9-16(13)22-15)8-14-11(3)19-23-12(14)4;3-2(4,5)1(6)7/h10,13,15-16H,5-9H2,1-4H3,(H,18,21);(H,6,7)/t13-,15+,16-;/m0./s1.

What are the key properties of (2R,3aS,7aR)-6-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-propan-2-yl-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine-2-carboxamide;2,2,2-trifluoroacetic acid?

(2R,3aS,7aR)-6-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-propan-2-yl-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine-2-carboxamide;2,2,2-trifluoroacetic acid has a molecular weight of 435.44 g/mol, XLogP of 2.43, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for (2R,3aS,7aR)-6-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-propan-2-yl-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine-2-carboxamide;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 155833584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).