1-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl)-2-[[1-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)cyclopentyl]amino]ethanone

C20H32N4O3 — CID 71928041

IUPAC1-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl)-2-[[1-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)cyclopentyl]amino]ethanone
SMILESCC(C)c1nc(C2(NCC(=O)N3CCOC4CCCCC43)CCCC2)no1
InChIInChI=1S/C20H32N4O3/c1-14(2)18-22-19(23-27-18)20(9-5-6-10-20)21-13-17(25)24-11-12-26-16-8-4-3-7-15(16)24/h14-16,21H,3-13H2,1-2H3
InChIKeyZUWRQQDYQVVBIH-UHFFFAOYSA-N
MW376.50 g/mol
LogP2.72
Rot. Bonds5

About 1-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl)-2-[[1-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)cyclopentyl]amino]ethanone

1-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl)-2-[[1-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)cyclopentyl]amino]ethanone (PubChem CID 71928041) has the molecular formula C20H32N4O3 and a molecular weight of 376.50 g/mol. Its IUPAC name is 1-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl)-2-[[1-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)cyclopentyl]amino]ethanone.

Molecular Properties

Compound Name1-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl)-2-[[1-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)cyclopentyl]amino]ethanone
PubChem CID71928041
Molecular FormulaC20H32N4O3
Molecular Weight376.50 g/mol
Exact Mass376.25
IUPAC Name1-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl)-2-[[1-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)cyclopentyl]amino]ethanone
SMILESCC(C)c1nc(C2(NCC(=O)N3CCOC4CCCCC43)CCCC2)no1
InChIInChI=1S/C20H32N4O3/c1-14(2)18-22-19(23-27-18)20(9-5-6-10-20)21-13-17(25)24-11-12-26-16-8-4-3-7-15(16)24/h14-16,21H,3-13H2,1-2H3
InChIKeyZUWRQQDYQVVBIH-UHFFFAOYSA-N
XLogP2.72
TPSA80.49 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.50
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl)-2-[[1-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)cyclopentyl]amino]ethanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl)-2-[[1-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)cyclopentyl]amino]ethanone?
The IUPAC name of 1-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl)-2-[[1-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)cyclopentyl]amino]ethanone (CID 71928041) is 1-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl)-2-[[1-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)cyclopentyl]amino]ethanone.
What is the SMILES notation for 1-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl)-2-[[1-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)cyclopentyl]amino]ethanone?
The canonical SMILES for 1-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl)-2-[[1-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)cyclopentyl]amino]ethanone is CC(C)c1nc(C2(NCC(=O)N3CCOC4CCCCC43)CCCC2)no1.
What is the InChIKey of 1-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl)-2-[[1-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)cyclopentyl]amino]ethanone?
The InChIKey is ZUWRQQDYQVVBIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32N4O3/c1-14(2)18-22-19(23-27-18)20(9-5-6-10-20)21-13-17(25)24-11-12-26-16-8-4-3-7-15(16)24/h14-16,21H,3-13H2,1-2H3.
What are the key properties of 1-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl)-2-[[1-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)cyclopentyl]amino]ethanone?
1-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl)-2-[[1-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)cyclopentyl]amino]ethanone has a molecular weight of 376.50 g/mol, XLogP of 2.72, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl)-2-[[1-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)cyclopentyl]amino]ethanone is sourced from PubChem (CID 71928041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).