2-[(3S,3aR,4S,6aS)-4-[2-(dimethylamino)-2-oxoethyl]-1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2,3,3a,4,6,6a-hexahydrofuro[3,4-b]pyrrol-3-yl]-N,N-dimethylacetamide

C20H32N4O4 — CID 155979636

About 2-[(3S,3aR,4S,6aS)-4-[2-(dimethylamino)-2-oxoethyl]-1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2,3,3a,4,6,6a-hexahydrofuro[3,4-b]pyrrol-3-yl]-N,N-dimethylacetamide

2-[(3S,3aR,4S,6aS)-4-[2-(dimethylamino)-2-oxoethyl]-1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2,3,3a,4,6,6a-hexahydrofuro[3,4-b]pyrrol-3-yl]-N,N-dimethylacetamide (PubChem CID 155979636) has the molecular formula C20H32N4O4 and a molecular weight of 392.50 g/mol. Its IUPAC name is 2-[(3S,3aR,4S,6aS)-4-[2-(dimethylamino)-2-oxoethyl]-1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2,3,3a,4,6,6a-hexahydrofuro[3,4-b]pyrrol-3-yl]-N,N-dimethylacetamide.

Molecular Properties

• Compound Name: 2-[(3S,3aR,4S,6aS)-4-[2-(dimethylamino)-2-oxoethyl]-1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2,3,3a,4,6,6a-hexahydrofuro[3,4-b]pyrrol-3-yl]-N,N-dimethylacetamide
• PubChem CID: 155979636
• Molecular Formula: C20H32N4O4
• Molecular Weight: 392.50 g/mol
• Exact Mass: 392.24
• IUPAC Name: 2-[(3S,3aR,4S,6aS)-4-[2-(dimethylamino)-2-oxoethyl]-1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2,3,3a,4,6,6a-hexahydrofuro[3,4-b]pyrrol-3-yl]-N,N-dimethylacetamide
• SMILES: Cc1noc(C)c1CN1C[C@@H](CC(=O)N(C)C)[C@H]2[C@H](CC(=O)N(C)C)OC[C@H]21
• InChI: InChI=1S/C20H32N4O4/c1-12-15(13(2)28-21-12)10-24-9-14(7-18(25)22(3)4)20-16(24)11-27-17(20)8-19(26)23(5)6/h14,16-17,20H,7-11H2,1-6H3/t14-,16-,17+,20-/m1/s1
• InChIKey: YKOYTILVHSQWCV-DFYYWFRZSA-N
• XLogP: 1.06
• TPSA: 79.12 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	392.50
LogP ≤ 5	1.06
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 2-[(3S,3aR,4S,6aS)-4-[2-(dimethylamino)-2-oxoethyl]-1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2,3,3a,4,6,6a-hexahydrofuro[3,4-b]pyrrol-3-yl]-N,N-dimethylacetamide?

The IUPAC name of 2-[(3S,3aR,4S,6aS)-4-[2-(dimethylamino)-2-oxoethyl]-1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2,3,3a,4,6,6a-hexahydrofuro[3,4-b]pyrrol-3-yl]-N,N-dimethylacetamide (CID 155979636) is 2-[(3S,3aR,4S,6aS)-4-[2-(dimethylamino)-2-oxoethyl]-1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2,3,3a,4,6,6a-hexahydrofuro[3,4-b]pyrrol-3-yl]-N,N-dimethylacetamide.

What is the SMILES notation for 2-[(3S,3aR,4S,6aS)-4-[2-(dimethylamino)-2-oxoethyl]-1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2,3,3a,4,6,6a-hexahydrofuro[3,4-b]pyrrol-3-yl]-N,N-dimethylacetamide?

The canonical SMILES for 2-[(3S,3aR,4S,6aS)-4-[2-(dimethylamino)-2-oxoethyl]-1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2,3,3a,4,6,6a-hexahydrofuro[3,4-b]pyrrol-3-yl]-N,N-dimethylacetamide is Cc1noc(C)c1CN1C[C@@H](CC(=O)N(C)C)[C@H]2[C@H](CC(=O)N(C)C)OC[C@H]21.

What is the InChIKey of 2-[(3S,3aR,4S,6aS)-4-[2-(dimethylamino)-2-oxoethyl]-1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2,3,3a,4,6,6a-hexahydrofuro[3,4-b]pyrrol-3-yl]-N,N-dimethylacetamide?

The InChIKey is YKOYTILVHSQWCV-DFYYWFRZSA-N. The full InChI is InChI=1S/C20H32N4O4/c1-12-15(13(2)28-21-12)10-24-9-14(7-18(25)22(3)4)20-16(24)11-27-17(20)8-19(26)23(5)6/h14,16-17,20H,7-11H2,1-6H3/t14-,16-,17+,20-/m1/s1.

What are the key properties of 2-[(3S,3aR,4S,6aS)-4-[2-(dimethylamino)-2-oxoethyl]-1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2,3,3a,4,6,6a-hexahydrofuro[3,4-b]pyrrol-3-yl]-N,N-dimethylacetamide?

2-[(3S,3aR,4S,6aS)-4-[2-(dimethylamino)-2-oxoethyl]-1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2,3,3a,4,6,6a-hexahydrofuro[3,4-b]pyrrol-3-yl]-N,N-dimethylacetamide has a molecular weight of 392.50 g/mol, XLogP of 1.06, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[(3S,3aR,4S,6aS)-4-[2-(dimethylamino)-2-oxoethyl]-1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2,3,3a,4,6,6a-hexahydrofuro[3,4-b]pyrrol-3-yl]-N,N-dimethylacetamide is sourced from PubChem (CID 155979636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).