1-[(4S,9aR)-4-propyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]oxazin-8-yl]-3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]propan-1-one

C19H26N4O4 — CID 134702592

IUPAC1-[(4S,9aR)-4-propyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]oxazin-8-yl]-3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]propan-1-one
SMILESCCC[C@H]1COC[C@H]2CN(C(=O)CCc3nc(-c4ccco4)no3)CCN12
InChIInChI=1S/C19H26N4O4/c1-2-4-14-12-25-13-15-11-22(8-9-23(14)15)18(24)7-6-17-20-19(21-27-17)16-5-3-10-26-16/h3,5,10,14-15H,2,4,6-9,11-13H2,1H3/t14-,15+/m0/s1
InChIKeyAHTVGKOETDTXGP-LSDHHAIUSA-N
MW374.44 g/mol
LogP1.97
Rot. Bonds6

About 1-[(4S,9aR)-4-propyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]oxazin-8-yl]-3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]propan-1-one

1-[(4S,9aR)-4-propyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]oxazin-8-yl]-3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]propan-1-one (PubChem CID 134702592) has the molecular formula C19H26N4O4 and a molecular weight of 374.44 g/mol. Its IUPAC name is 1-[(4S,9aR)-4-propyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]oxazin-8-yl]-3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]propan-1-one.

Molecular Properties

Compound Name1-[(4S,9aR)-4-propyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]oxazin-8-yl]-3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]propan-1-one
PubChem CID134702592
Molecular FormulaC19H26N4O4
Molecular Weight374.44 g/mol
Exact Mass374.20
IUPAC Name1-[(4S,9aR)-4-propyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]oxazin-8-yl]-3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]propan-1-one
SMILESCCC[C@H]1COC[C@H]2CN(C(=O)CCc3nc(-c4ccco4)no3)CCN12
InChIInChI=1S/C19H26N4O4/c1-2-4-14-12-25-13-15-11-22(8-9-23(14)15)18(24)7-6-17-20-19(21-27-17)16-5-3-10-26-16/h3,5,10,14-15H,2,4,6-9,11-13H2,1H3/t14-,15+/m0/s1
InChIKeyAHTVGKOETDTXGP-LSDHHAIUSA-N
XLogP1.97
TPSA84.84 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.44
LogP ≤ 51.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 1-[(4S,9aR)-4-propyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]oxazin-8-yl]-3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]propan-1-one with MolForge

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Launch Full Analysis

Related Compounds

3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]-1-piperidin-1-ylpropan-1-one
CID 36656689
1-[3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]propanoyl]-5-methylpiperidine-3-carboxylic acid
CID 122118931
1-[4-(ethylaminomethyl)piperidin-1-yl]-3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]propan-1-one
CID 119645557
3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]-1-[4-(3-methylphenyl)piperazin-1-yl]propan-1-one
CID 36755784
1-[4-(furan-3-carbonyl)piperazin-1-yl]-3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]propan-1-one
CID 32535444
1-(4-amino-3,3-dimethylpiperidin-1-yl)-3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]propan-1-one
CID 120815986
3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]-1-(2-methylpiperazin-1-yl)propan-1-one
CID 119471174
3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]-1-[4-(2-morpholin-4-ylethyl)piperidin-1-yl]propan-1-one
CID 136579804
1-[(4aS,8aS)-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl]-3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]propan-1-one
CID 95573579
1-[(4S,9aR)-4-propyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]oxazin-8-yl]-2-(2-chlorophenoxy)ethanone
CID 134704984
1-[3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]propanoyl]-N-phenylpiperidine-4-carboxamide
CID 36747424
3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]-N-(2-methyl-2-morpholin-4-ylpropyl)propanamide
CID 134018961

Frequently Asked Questions

What is the IUPAC name of 1-[(4S,9aR)-4-propyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]oxazin-8-yl]-3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]propan-1-one?
The IUPAC name of 1-[(4S,9aR)-4-propyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]oxazin-8-yl]-3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]propan-1-one (CID 134702592) is 1-[(4S,9aR)-4-propyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]oxazin-8-yl]-3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]propan-1-one.
What is the SMILES notation for 1-[(4S,9aR)-4-propyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]oxazin-8-yl]-3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]propan-1-one?
The canonical SMILES for 1-[(4S,9aR)-4-propyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]oxazin-8-yl]-3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]propan-1-one is CCC[C@H]1COC[C@H]2CN(C(=O)CCc3nc(-c4ccco4)no3)CCN12.
What is the InChIKey of 1-[(4S,9aR)-4-propyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]oxazin-8-yl]-3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]propan-1-one?
The InChIKey is AHTVGKOETDTXGP-LSDHHAIUSA-N. The full InChI is InChI=1S/C19H26N4O4/c1-2-4-14-12-25-13-15-11-22(8-9-23(14)15)18(24)7-6-17-20-19(21-27-17)16-5-3-10-26-16/h3,5,10,14-15H,2,4,6-9,11-13H2,1H3/t14-,15+/m0/s1.
What are the key properties of 1-[(4S,9aR)-4-propyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]oxazin-8-yl]-3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]propan-1-one?
1-[(4S,9aR)-4-propyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]oxazin-8-yl]-3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]propan-1-one has a molecular weight of 374.44 g/mol, XLogP of 1.97, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4S,9aR)-4-propyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]oxazin-8-yl]-3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]propan-1-one is sourced from PubChem (CID 134702592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).