[(4S,9aR)-4-propyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]oxazin-8-yl]-(5-phenyl-1,2-oxazol-4-yl)methanone

C20H25N3O3 — CID 134702252

IUPAC[(4S,9aR)-4-propyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]oxazin-8-yl]-(5-phenyl-1,2-oxazol-4-yl)methanone
SMILESCCC[C@H]1COC[C@H]2CN(C(=O)c3cnoc3-c3ccccc3)CCN12
InChIInChI=1S/C20H25N3O3/c1-2-6-16-13-25-14-17-12-22(9-10-23(16)17)20(24)18-11-21-26-19(18)15-7-4-3-5-8-15/h3-5,7-8,11,16-17H,2,6,9-10,12-14H2,1H3/t16-,17+/m0/s1
InChIKeyUDDGYFONEFGXIP-DLBZAZTESA-N
MW355.44 g/mol
LogP2.67
Rot. Bonds4

About [(4S,9aR)-4-propyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]oxazin-8-yl]-(5-phenyl-1,2-oxazol-4-yl)methanone

[(4S,9aR)-4-propyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]oxazin-8-yl]-(5-phenyl-1,2-oxazol-4-yl)methanone (PubChem CID 134702252) has the molecular formula C20H25N3O3 and a molecular weight of 355.44 g/mol. Its IUPAC name is [(4S,9aR)-4-propyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]oxazin-8-yl]-(5-phenyl-1,2-oxazol-4-yl)methanone.

Molecular Properties

Compound Name[(4S,9aR)-4-propyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]oxazin-8-yl]-(5-phenyl-1,2-oxazol-4-yl)methanone
PubChem CID134702252
Molecular FormulaC20H25N3O3
Molecular Weight355.44 g/mol
Exact Mass355.19
IUPAC Name[(4S,9aR)-4-propyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]oxazin-8-yl]-(5-phenyl-1,2-oxazol-4-yl)methanone
SMILESCCC[C@H]1COC[C@H]2CN(C(=O)c3cnoc3-c3ccccc3)CCN12
InChIInChI=1S/C20H25N3O3/c1-2-6-16-13-25-14-17-12-22(9-10-23(16)17)20(24)18-11-21-26-19(18)15-7-4-3-5-8-15/h3-5,7-8,11,16-17H,2,6,9-10,12-14H2,1H3/t16-,17+/m0/s1
InChIKeyUDDGYFONEFGXIP-DLBZAZTESA-N
XLogP2.67
TPSA58.81 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.44
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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

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Related Compounds

1-[(4S,9aR)-4-propyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]oxazin-8-yl]-3-phenoxypropan-1-one
CID 134702400
[(4S,9aR)-4-propyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]oxazin-8-yl]-[4-(trifluoromethyl)phenyl]methanone
CID 134703969
(4S,9aR)-N-(2-chlorophenyl)-4-propyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]oxazine-8-carboxamide
CID 155493430
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
[(4S,9aR)-4-propyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]oxazin-8-yl]-(1,3-benzothiazol-5-yl)methanone
CID 134706093
4-[(4S,9aR)-4-propyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]oxazine-8-carbonyl]-6-methyl-1H-pyridin-2-one
CID 155919043
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
1-[(4S,9aR)-4-propyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]oxazin-8-yl]-2-(4-methoxyphenyl)ethanone
CID 134697866
(5-phenyl-1,2-oxazol-4-yl)-(3-pyridin-3-ylpyrrolidin-1-yl)methanone
CID 59170262
[(4S,9aR)-4-phenyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]oxazin-8-yl]-(2-methyl-3-pyridinyl)methanone
CID 134704949
[6-[(4S,9aR)-4-propyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]oxazin-8-yl]pyrazin-2-yl]-(4-methylpiperazin-1-yl)methanone
CID 154816938
[(2R)-oxolan-2-yl]-[4-(5-phenyl-1,2-oxazole-4-carbonyl)-1,4-diazepan-1-yl]methanone
CID 126454402

Frequently Asked Questions

What is the IUPAC name of [(4S,9aR)-4-propyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]oxazin-8-yl]-(5-phenyl-1,2-oxazol-4-yl)methanone?
The IUPAC name of [(4S,9aR)-4-propyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]oxazin-8-yl]-(5-phenyl-1,2-oxazol-4-yl)methanone (CID 134702252) is [(4S,9aR)-4-propyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]oxazin-8-yl]-(5-phenyl-1,2-oxazol-4-yl)methanone.
What is the SMILES notation for [(4S,9aR)-4-propyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]oxazin-8-yl]-(5-phenyl-1,2-oxazol-4-yl)methanone?
The canonical SMILES for [(4S,9aR)-4-propyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]oxazin-8-yl]-(5-phenyl-1,2-oxazol-4-yl)methanone is CCC[C@H]1COC[C@H]2CN(C(=O)c3cnoc3-c3ccccc3)CCN12.
What is the InChIKey of [(4S,9aR)-4-propyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]oxazin-8-yl]-(5-phenyl-1,2-oxazol-4-yl)methanone?
The InChIKey is UDDGYFONEFGXIP-DLBZAZTESA-N. The full InChI is InChI=1S/C20H25N3O3/c1-2-6-16-13-25-14-17-12-22(9-10-23(16)17)20(24)18-11-21-26-19(18)15-7-4-3-5-8-15/h3-5,7-8,11,16-17H,2,6,9-10,12-14H2,1H3/t16-,17+/m0/s1.
What are the key properties of [(4S,9aR)-4-propyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]oxazin-8-yl]-(5-phenyl-1,2-oxazol-4-yl)methanone?
[(4S,9aR)-4-propyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]oxazin-8-yl]-(5-phenyl-1,2-oxazol-4-yl)methanone has a molecular weight of 355.44 g/mol, XLogP of 2.67, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(4S,9aR)-4-propyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]oxazin-8-yl]-(5-phenyl-1,2-oxazol-4-yl)methanone is sourced from PubChem (CID 134702252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).