8a-benzyl-7-(5-chloro-2-methoxybenzoyl)-1,5,6,8-tetrahydro-[1,3]oxazolo[3,4-a]pyrazin-3-one

C21H21ClN2O4 — CID 146038678

IUPAC8a-benzyl-7-(5-chloro-2-methoxybenzoyl)-1,5,6,8-tetrahydro-[1,3]oxazolo[3,4-a]pyrazin-3-one
SMILESCOc1ccc(Cl)cc1C(=O)N1CCN2C(=O)OCC2(Cc2ccccc2)C1
InChIInChI=1S/C21H21ClN2O4/c1-27-18-8-7-16(22)11-17(18)19(25)23-9-10-24-20(26)28-14-21(24,13-23)12-15-5-3-2-4-6-15/h2-8,11H,9-10,12-14H2,1H3
InChIKeyFKUWPGNSIAODDV-UHFFFAOYSA-N
MW400.86 g/mol
LogP3.24
Rot. Bonds4

About 8a-benzyl-7-(5-chloro-2-methoxybenzoyl)-1,5,6,8-tetrahydro-[1,3]oxazolo[3,4-a]pyrazin-3-one

8a-benzyl-7-(5-chloro-2-methoxybenzoyl)-1,5,6,8-tetrahydro-[1,3]oxazolo[3,4-a]pyrazin-3-one (PubChem CID 146038678) has the molecular formula C21H21ClN2O4 and a molecular weight of 400.86 g/mol. Its IUPAC name is 8a-benzyl-7-(5-chloro-2-methoxybenzoyl)-1,5,6,8-tetrahydro-[1,3]oxazolo[3,4-a]pyrazin-3-one.

Molecular Properties

Compound Name8a-benzyl-7-(5-chloro-2-methoxybenzoyl)-1,5,6,8-tetrahydro-[1,3]oxazolo[3,4-a]pyrazin-3-one
PubChem CID146038678
Molecular FormulaC21H21ClN2O4
Molecular Weight400.86 g/mol
Exact Mass400.12
IUPAC Name8a-benzyl-7-(5-chloro-2-methoxybenzoyl)-1,5,6,8-tetrahydro-[1,3]oxazolo[3,4-a]pyrazin-3-one
SMILESCOc1ccc(Cl)cc1C(=O)N1CCN2C(=O)OCC2(Cc2ccccc2)C1
InChIInChI=1S/C21H21ClN2O4/c1-27-18-8-7-16(22)11-17(18)19(25)23-9-10-24-20(26)28-14-21(24,13-23)12-15-5-3-2-4-6-15/h2-8,11H,9-10,12-14H2,1H3
InChIKeyFKUWPGNSIAODDV-UHFFFAOYSA-N
XLogP3.24
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.86
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 8a-benzyl-7-(5-chloro-2-methoxybenzoyl)-1,5,6,8-tetrahydro-[1,3]oxazolo[3,4-a]pyrazin-3-one with MolForge

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Launch Full Analysis

Related Compounds

8a-benzyl-7-[4-(difluoromethoxy)benzoyl]-1,5,6,8-tetrahydro-[1,3]oxazolo[3,4-a]pyrazin-3-one
CID 146038722
methyl 4-(5-chloro-2-methoxybenzoyl)piperazine-1-carboxylate
CID 110803250
8a-benzyl-7-([1,2,4]triazolo[1,5-a]pyridine-6-carbonyl)-1,5,6,8-tetrahydro-[1,3]oxazolo[3,4-a]pyrazin-3-one
CID 154571719
[4-(5-chloro-2-methoxybenzoyl)-1,4-diazepan-1-yl]-(furan-2-yl)methanone
CID 110807734
[4-(5-chloro-2-methoxybenzoyl)-1,4-diazepan-1-yl]-naphthalen-1-ylmethanone
CID 108546172
(3S)-3-[4-(5-chloro-2-methoxybenzoyl)piperazin-1-yl]-3-ethyl-N-methylpyrrolidine-1-carboxamide
CID 95112221
[(4S,9aR)-4-phenyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]oxazin-8-yl]-(5-chloro-2-methoxyphenyl)methanone
CID 155506207
[4-(5-chloro-2-methoxybenzoyl)-1,4-diazepan-1-yl]-(2-methylphenyl)methanone
CID 108546198
(5-chloro-2-methoxyphenyl)-[4-(2-chlorophenyl)sulfonylpiperazin-1-yl]methanone
CID 26757252
(5-chloro-2-methoxyphenyl)-[4-(2-pyrazol-1-ylethyl)piperazin-1-yl]methanone
CID 52907336
1-[4-(5-chloro-2-methoxybenzoyl)piperazin-1-yl]butan-1-one
CID 110799983
1-[4-(5-chloro-2-methoxybenzoyl)piperazin-1-yl]-2-(4-chlorophenoxy)ethanone
CID 108535354

Frequently Asked Questions

What is the IUPAC name of 8a-benzyl-7-(5-chloro-2-methoxybenzoyl)-1,5,6,8-tetrahydro-[1,3]oxazolo[3,4-a]pyrazin-3-one?
The IUPAC name of 8a-benzyl-7-(5-chloro-2-methoxybenzoyl)-1,5,6,8-tetrahydro-[1,3]oxazolo[3,4-a]pyrazin-3-one (CID 146038678) is 8a-benzyl-7-(5-chloro-2-methoxybenzoyl)-1,5,6,8-tetrahydro-[1,3]oxazolo[3,4-a]pyrazin-3-one.
What is the SMILES notation for 8a-benzyl-7-(5-chloro-2-methoxybenzoyl)-1,5,6,8-tetrahydro-[1,3]oxazolo[3,4-a]pyrazin-3-one?
The canonical SMILES for 8a-benzyl-7-(5-chloro-2-methoxybenzoyl)-1,5,6,8-tetrahydro-[1,3]oxazolo[3,4-a]pyrazin-3-one is COc1ccc(Cl)cc1C(=O)N1CCN2C(=O)OCC2(Cc2ccccc2)C1.
What is the InChIKey of 8a-benzyl-7-(5-chloro-2-methoxybenzoyl)-1,5,6,8-tetrahydro-[1,3]oxazolo[3,4-a]pyrazin-3-one?
The InChIKey is FKUWPGNSIAODDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21ClN2O4/c1-27-18-8-7-16(22)11-17(18)19(25)23-9-10-24-20(26)28-14-21(24,13-23)12-15-5-3-2-4-6-15/h2-8,11H,9-10,12-14H2,1H3.
What are the key properties of 8a-benzyl-7-(5-chloro-2-methoxybenzoyl)-1,5,6,8-tetrahydro-[1,3]oxazolo[3,4-a]pyrazin-3-one?
8a-benzyl-7-(5-chloro-2-methoxybenzoyl)-1,5,6,8-tetrahydro-[1,3]oxazolo[3,4-a]pyrazin-3-one has a molecular weight of 400.86 g/mol, XLogP of 3.24, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8a-benzyl-7-(5-chloro-2-methoxybenzoyl)-1,5,6,8-tetrahydro-[1,3]oxazolo[3,4-a]pyrazin-3-one is sourced from PubChem (CID 146038678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).