8a-benzyl-7-(1H-indol-5-ylmethyl)-1,5,6,8-tetrahydro-[1,3]oxazolo[3,4-a]pyrazin-3-one

C22H23N3O2 — CID 146043345

IUPAC8a-benzyl-7-(1H-indol-5-ylmethyl)-1,5,6,8-tetrahydro-[1,3]oxazolo[3,4-a]pyrazin-3-one
SMILESO=C1OCC2(Cc3ccccc3)CN(Cc3ccc4[nH]ccc4c3)CCN12
InChIInChI=1S/C22H23N3O2/c26-21-25-11-10-24(14-18-6-7-20-19(12-18)8-9-23-20)15-22(25,16-27-21)13-17-4-2-1-3-5-17/h1-9,12,23H,10-11,13-16H2
InChIKeyQJNAJXSJLYJPBV-UHFFFAOYSA-N
MW361.45 g/mol
LogP3.42
Rot. Bonds4

About 8a-benzyl-7-(1H-indol-5-ylmethyl)-1,5,6,8-tetrahydro-[1,3]oxazolo[3,4-a]pyrazin-3-one

8a-benzyl-7-(1H-indol-5-ylmethyl)-1,5,6,8-tetrahydro-[1,3]oxazolo[3,4-a]pyrazin-3-one (PubChem CID 146043345) has the molecular formula C22H23N3O2 and a molecular weight of 361.45 g/mol. Its IUPAC name is 8a-benzyl-7-(1H-indol-5-ylmethyl)-1,5,6,8-tetrahydro-[1,3]oxazolo[3,4-a]pyrazin-3-one.

Molecular Properties

Compound Name8a-benzyl-7-(1H-indol-5-ylmethyl)-1,5,6,8-tetrahydro-[1,3]oxazolo[3,4-a]pyrazin-3-one
PubChem CID146043345
Molecular FormulaC22H23N3O2
Molecular Weight361.45 g/mol
Exact Mass361.18
IUPAC Name8a-benzyl-7-(1H-indol-5-ylmethyl)-1,5,6,8-tetrahydro-[1,3]oxazolo[3,4-a]pyrazin-3-one
SMILESO=C1OCC2(Cc3ccccc3)CN(Cc3ccc4[nH]ccc4c3)CCN12
InChIInChI=1S/C22H23N3O2/c26-21-25-11-10-24(14-18-6-7-20-19(12-18)8-9-23-20)15-22(25,16-27-21)13-17-4-2-1-3-5-17/h1-9,12,23H,10-11,13-16H2
InChIKeyQJNAJXSJLYJPBV-UHFFFAOYSA-N
XLogP3.42
TPSA48.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.45
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

8a-benzyl-7-(thian-4-yl)-1,5,6,8-tetrahydro-[1,3]oxazolo[3,4-a]pyrazin-3-one
CID 154815788
2-(8a-benzyl-3-oxo-1,5,6,8-tetrahydro-[1,3]oxazolo[3,4-a]pyrazine-7-carbonyl)benzonitrile
CID 146042629
5-[[4-[(4-fluorophenyl)methyl]-1,4-diazepan-1-yl]methyl]-1H-indole
CID 56895741
1-[1-(1H-indol-5-ylmethyl)piperidin-3-yl]-2-phenylethanone
CID 56903614
2-(1H-indol-5-ylmethyl)-1,3,2-dioxazolidine-4,5-dione
CID 140663994
5-[(4-methylpiperidin-1-yl)methyl]-1H-indole
CID 90949338
8a-ethyl-7-[(4-pyridin-3-ylphenyl)methyl]-1,5,6,8-tetrahydro-[1,3]oxazolo[3,4-a]pyrazin-3-one
CID 154818460
5-[[4-(oxan-4-yl)piperazin-1-yl]methyl]-1H-indole
CID 77090131
5-[1-benzyl-3-(pyridin-2-ylmethyl)pyrrolidin-3-yl]-1H-indole
CID 66865500
8a-benzyl-7-(4-methoxy-3-prop-2-enylbenzoyl)-1,5,6,8-tetrahydro-[1,3]oxazolo[3,4-a]pyrazin-3-one
CID 146044981
8a-benzyl-7-(1,6-dimethylpyrazolo[5,4-d]pyrimidin-4-yl)-1,5,6,8-tetrahydro-[1,3]oxazolo[3,4-a]pyrazin-3-one
CID 146043748
6-benzyl-5,7-dihydro-1H-pyrrolo[3,4-f]indole
CID 130972580

Frequently Asked Questions

What is the IUPAC name of 8a-benzyl-7-(1H-indol-5-ylmethyl)-1,5,6,8-tetrahydro-[1,3]oxazolo[3,4-a]pyrazin-3-one?
The IUPAC name of 8a-benzyl-7-(1H-indol-5-ylmethyl)-1,5,6,8-tetrahydro-[1,3]oxazolo[3,4-a]pyrazin-3-one (CID 146043345) is 8a-benzyl-7-(1H-indol-5-ylmethyl)-1,5,6,8-tetrahydro-[1,3]oxazolo[3,4-a]pyrazin-3-one.
What is the SMILES notation for 8a-benzyl-7-(1H-indol-5-ylmethyl)-1,5,6,8-tetrahydro-[1,3]oxazolo[3,4-a]pyrazin-3-one?
The canonical SMILES for 8a-benzyl-7-(1H-indol-5-ylmethyl)-1,5,6,8-tetrahydro-[1,3]oxazolo[3,4-a]pyrazin-3-one is O=C1OCC2(Cc3ccccc3)CN(Cc3ccc4[nH]ccc4c3)CCN12.
What is the InChIKey of 8a-benzyl-7-(1H-indol-5-ylmethyl)-1,5,6,8-tetrahydro-[1,3]oxazolo[3,4-a]pyrazin-3-one?
The InChIKey is QJNAJXSJLYJPBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O2/c26-21-25-11-10-24(14-18-6-7-20-19(12-18)8-9-23-20)15-22(25,16-27-21)13-17-4-2-1-3-5-17/h1-9,12,23H,10-11,13-16H2.
What are the key properties of 8a-benzyl-7-(1H-indol-5-ylmethyl)-1,5,6,8-tetrahydro-[1,3]oxazolo[3,4-a]pyrazin-3-one?
8a-benzyl-7-(1H-indol-5-ylmethyl)-1,5,6,8-tetrahydro-[1,3]oxazolo[3,4-a]pyrazin-3-one has a molecular weight of 361.45 g/mol, XLogP of 3.42, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8a-benzyl-7-(1H-indol-5-ylmethyl)-1,5,6,8-tetrahydro-[1,3]oxazolo[3,4-a]pyrazin-3-one is sourced from PubChem (CID 146043345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).