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

C16H24N4O3 — CID 146074099

IUPAC9-[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
SMILESCc1noc(C)c1CCC(=O)N1CCCN2CCNC(=O)C2C1
InChIInChI=1S/C16H24N4O3/c1-11-13(12(2)23-18-11)4-5-15(21)20-8-3-7-19-9-6-17-16(22)14(19)10-20/h14H,3-10H2,1-2H3,(H,17,22)
InChIKeyRNWACCFHDALYJX-UHFFFAOYSA-N
MW320.39 g/mol
LogP0.26
Rot. Bonds3

About 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

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 (PubChem CID 146074099) has the molecular formula C16H24N4O3 and a molecular weight of 320.39 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name9-[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
PubChem CID146074099
Molecular FormulaC16H24N4O3
Molecular Weight320.39 g/mol
Exact Mass320.18
IUPAC Name9-[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
SMILESCc1noc(C)c1CCC(=O)N1CCCN2CCNC(=O)C2C1
InChIInChI=1S/C16H24N4O3/c1-11-13(12(2)23-18-11)4-5-15(21)20-8-3-7-19-9-6-17-16(22)14(19)10-20/h14H,3-10H2,1-2H3,(H,17,22)
InChIKeyRNWACCFHDALYJX-UHFFFAOYSA-N
XLogP0.26
TPSA78.68 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.39
LogP ≤ 50.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 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 with MolForge

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Related Compounds

3-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(3-methylpiperidin-1-yl)propan-1-one
CID 78791717
3-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(3S)-3-(1H-pyrazol-5-yl)piperidin-1-yl]propan-1-one
CID 95845538
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
3-[1-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propanoyl]pyrrolidin-3-yl]imidazolidine-2,4-dione
CID 121159876
(6R)-1-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propanoyl]-6-[[2-(4-methylphenyl)phenyl]methyl]-1,4-diazepan-5-one
CID 92558411
3-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[2-(hydroxymethyl)morpholin-4-yl]propan-1-one
CID 81209406
3-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[3-(morpholine-4-carbonyl)piperidin-1-yl]propan-1-one
CID 134000213
3-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(3R)-3-pyrimidin-4-ylpiperidin-1-yl]propan-1-one
CID 125013242
3-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(3R)-3-(2-methylimidazol-1-yl)piperidin-1-yl]propan-1-one
CID 95349356
3-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(3S)-3-(2-methylpyrimidin-4-yl)piperidin-1-yl]propan-1-one
CID 124982287
1-acetyl-4-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propanoyl]-1,4-diazepane-6-carboxamide
CID 110107423
3-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[3-(4,6-dimethylpyrimidin-2-yl)pyrrolidin-1-yl]propan-1-one
CID 127246669

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is Cc1noc(C)c1CCC(=O)N1CCCN2CCNC(=O)C2C1.
What is the InChIKey of 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?
The InChIKey is RNWACCFHDALYJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4O3/c1-11-13(12(2)23-18-11)4-5-15(21)20-8-3-7-19-9-6-17-16(22)14(19)10-20/h14H,3-10H2,1-2H3,(H,17,22).
What are the key properties of 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?
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 has a molecular weight of 320.39 g/mol, XLogP of 0.26, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 146074099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).