9-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)propanoyl]-2,3,4,6,7,8,10,10a-octahydropyrazino[1,2-a][1,4]diazepin-1-one

C19H23N5O3 — CID 146074103

IUPAC9-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)propanoyl]-2,3,4,6,7,8,10,10a-octahydropyrazino[1,2-a][1,4]diazepin-1-one
SMILESO=C1NCCN2CCCN(C(=O)CCc3nc(-c4ccccc4)no3)CC12
InChIInChI=1S/C19H23N5O3/c25-17(24-11-4-10-23-12-9-20-19(26)15(23)13-24)8-7-16-21-18(22-27-16)14-5-2-1-3-6-14/h1-3,5-6,15H,4,7-13H2,(H,20,26)
InChIKeyIFZLIZMOCAEWCX-UHFFFAOYSA-N
MW369.43 g/mol
LogP0.70
Rot. Bonds4

About 9-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)propanoyl]-2,3,4,6,7,8,10,10a-octahydropyrazino[1,2-a][1,4]diazepin-1-one

9-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)propanoyl]-2,3,4,6,7,8,10,10a-octahydropyrazino[1,2-a][1,4]diazepin-1-one (PubChem CID 146074103) has the molecular formula C19H23N5O3 and a molecular weight of 369.43 g/mol. Its IUPAC name is 9-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)propanoyl]-2,3,4,6,7,8,10,10a-octahydropyrazino[1,2-a][1,4]diazepin-1-one.

Molecular Properties

Compound Name9-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)propanoyl]-2,3,4,6,7,8,10,10a-octahydropyrazino[1,2-a][1,4]diazepin-1-one
PubChem CID146074103
Molecular FormulaC19H23N5O3
Molecular Weight369.43 g/mol
Exact Mass369.18
IUPAC Name9-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)propanoyl]-2,3,4,6,7,8,10,10a-octahydropyrazino[1,2-a][1,4]diazepin-1-one
SMILESO=C1NCCN2CCCN(C(=O)CCc3nc(-c4ccccc4)no3)CC12
InChIInChI=1S/C19H23N5O3/c25-17(24-11-4-10-23-12-9-20-19(26)15(23)13-24)8-7-16-21-18(22-27-16)14-5-2-1-3-6-14/h1-3,5-6,15H,4,7-13H2,(H,20,26)
InChIKeyIFZLIZMOCAEWCX-UHFFFAOYSA-N
XLogP0.70
TPSA91.57 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.43
LogP ≤ 50.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 9-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)propanoyl]-2,3,4,6,7,8,10,10a-octahydropyrazino[1,2-a][1,4]diazepin-1-one with MolForge

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Related Compounds

(9aR)-2-[4-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)butanoyl]-3,4,6,7,8,9a-hexahydro-1H-pyrazino[1,2-a]pyrazin-9-one
CID 125170224
4-[(3R)-1-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)propanoyl]piperidin-3-yl]-1H-pyrimidin-6-one
CID 136803023
1-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]-3-(3-phenyl-1,2,4-oxadiazol-5-yl)propan-1-one
CID 9225619
9-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propanoyl]-2,3,4,6,7,8,10,10a-octahydropyrazino[1,2-a][1,4]diazepin-1-one
CID 146074099
1-(4-benzyl-1,4-diazepan-1-yl)-3-(3-phenyl-1,2,4-oxadiazol-5-yl)propan-1-one
CID 43044241
3-(3-phenyl-1,2,4-oxadiazol-5-yl)-1-(3-propoxypiperidin-1-yl)propan-1-one
CID 70763009
1-morpholin-4-yl-3-[3-(4-phenylphenyl)-1,2,4-oxadiazol-5-yl]propan-1-one
CID 100762654
(3S)-1-[4-(3-phenyl-1,2,4-oxadiazol-5-yl)butanoyl]piperidine-3-carboxamide
CID 94176966
1-[3-(hydroxymethyl)piperidin-1-yl]-3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propan-1-one
CID 110886801
3-[3-(4-phenylphenyl)-1,2,4-oxadiazol-5-yl]-1-(4-phenylpiperazin-1-yl)propan-1-one
CID 100762680
1-(3-phenylmethoxyazetidin-1-yl)-3-(3-phenyl-1,2,4-oxadiazol-5-yl)propan-1-one
CID 70707923
3-(3-phenyl-1,2,4-oxadiazol-5-yl)-1-(2-pyridin-2-ylpyrrolidin-1-yl)propan-1-one
CID 51092103

Frequently Asked Questions

What is the IUPAC name of 9-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)propanoyl]-2,3,4,6,7,8,10,10a-octahydropyrazino[1,2-a][1,4]diazepin-1-one?
The IUPAC name of 9-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)propanoyl]-2,3,4,6,7,8,10,10a-octahydropyrazino[1,2-a][1,4]diazepin-1-one (CID 146074103) is 9-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)propanoyl]-2,3,4,6,7,8,10,10a-octahydropyrazino[1,2-a][1,4]diazepin-1-one.
What is the SMILES notation for 9-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)propanoyl]-2,3,4,6,7,8,10,10a-octahydropyrazino[1,2-a][1,4]diazepin-1-one?
The canonical SMILES for 9-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)propanoyl]-2,3,4,6,7,8,10,10a-octahydropyrazino[1,2-a][1,4]diazepin-1-one is O=C1NCCN2CCCN(C(=O)CCc3nc(-c4ccccc4)no3)CC12.
What is the InChIKey of 9-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)propanoyl]-2,3,4,6,7,8,10,10a-octahydropyrazino[1,2-a][1,4]diazepin-1-one?
The InChIKey is IFZLIZMOCAEWCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N5O3/c25-17(24-11-4-10-23-12-9-20-19(26)15(23)13-24)8-7-16-21-18(22-27-16)14-5-2-1-3-6-14/h1-3,5-6,15H,4,7-13H2,(H,20,26).
What are the key properties of 9-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)propanoyl]-2,3,4,6,7,8,10,10a-octahydropyrazino[1,2-a][1,4]diazepin-1-one?
9-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)propanoyl]-2,3,4,6,7,8,10,10a-octahydropyrazino[1,2-a][1,4]diazepin-1-one has a molecular weight of 369.43 g/mol, XLogP of 0.70, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)propanoyl]-2,3,4,6,7,8,10,10a-octahydropyrazino[1,2-a][1,4]diazepin-1-one is sourced from PubChem (CID 146074103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).