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

C17H21N3O2 — CID 146038258

IUPAC8a-ethyl-7-(1H-indol-4-ylmethyl)-1,5,6,8-tetrahydro-[1,3]oxazolo[3,4-a]pyrazin-3-one
SMILESCCC12COC(=O)N1CCN(Cc1cccc3[nH]ccc13)C2
InChIInChI=1S/C17H21N3O2/c1-2-17-11-19(8-9-20(17)16(21)22-12-17)10-13-4-3-5-15-14(13)6-7-18-15/h3-7,18H,2,8-12H2,1H3
InChIKeyCLSBOUVRCHKAFP-UHFFFAOYSA-N
MW299.37 g/mol
LogP2.58
Rot. Bonds3

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

8a-ethyl-7-(1H-indol-4-ylmethyl)-1,5,6,8-tetrahydro-[1,3]oxazolo[3,4-a]pyrazin-3-one (PubChem CID 146038258) has the molecular formula C17H21N3O2 and a molecular weight of 299.37 g/mol. Its IUPAC name is 8a-ethyl-7-(1H-indol-4-ylmethyl)-1,5,6,8-tetrahydro-[1,3]oxazolo[3,4-a]pyrazin-3-one.

Molecular Properties

Compound Name8a-ethyl-7-(1H-indol-4-ylmethyl)-1,5,6,8-tetrahydro-[1,3]oxazolo[3,4-a]pyrazin-3-one
PubChem CID146038258
Molecular FormulaC17H21N3O2
Molecular Weight299.37 g/mol
Exact Mass299.16
IUPAC Name8a-ethyl-7-(1H-indol-4-ylmethyl)-1,5,6,8-tetrahydro-[1,3]oxazolo[3,4-a]pyrazin-3-one
SMILESCCC12COC(=O)N1CCN(Cc1cccc3[nH]ccc13)C2
InChIInChI=1S/C17H21N3O2/c1-2-17-11-19(8-9-20(17)16(21)22-12-17)10-13-4-3-5-15-14(13)6-7-18-15/h3-7,18H,2,8-12H2,1H3
InChIKeyCLSBOUVRCHKAFP-UHFFFAOYSA-N
XLogP2.58
TPSA48.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.37
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

8a-benzyl-7-(1H-indol-5-ylmethyl)-1,5,6,8-tetrahydro-[1,3]oxazolo[3,4-a]pyrazin-3-one
CID 146043345
4-(piperazin-1-ylmethyl)-1H-indole;dihydrochloride
CID 134690852
1-(1H-indol-4-ylmethyl)-3-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-3-ol
CID 154761315
3-[(1R,5S)-4'-(1H-indol-4-ylmethyl)spiro[8-azabicyclo[3.2.1]octane-3,2'-morpholine]-8-yl]-1-methylpyrrolidin-2-one
CID 154565979
4-[[(3S)-3-(5-methyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]methyl]-1H-indole
CID 129374249
(6S)-1-acetyl-4-(1H-indol-4-ylmethyl)-N-methyl-1,4-diazepane-6-carboxamide
CID 124959435
N-(1H-indol-4-ylmethyl)propanamide
CID 176935116
8a-ethyl-7-[8-(trifluoromethyl)quinolin-4-yl]-1,5,6,8-tetrahydro-[1,3]oxazolo[3,4-a]pyrazin-3-one
CID 154565788
N-[[7-(1H-indol-4-ylmethyl)-1,10-dioxa-7-azaspiro[4.6]undecan-2-yl]methyl]methanesulfonamide;2,2,2-trifluoroacetic acid
CID 155832241
1-[2-(1H-indol-4-ylmethyl)-5-oxa-2-azaspiro[3.5]nonan-7-yl]-N,N-dimethylmethanamine
CID 131648468
1-(1H-indol-4-ylmethyl)-9-(6-methylpyrazin-2-yl)-4-oxa-1,9-diazaspiro[5.5]undecan-2-one
CID 57407187
2-[(2R)-2-[(4-chlorophenoxy)methyl]-4-(1H-indol-4-ylmethyl)morpholin-2-yl]-1-morpholin-4-ylethanone
CID 125026614

Frequently Asked Questions

What is the IUPAC name of 8a-ethyl-7-(1H-indol-4-ylmethyl)-1,5,6,8-tetrahydro-[1,3]oxazolo[3,4-a]pyrazin-3-one?
The IUPAC name of 8a-ethyl-7-(1H-indol-4-ylmethyl)-1,5,6,8-tetrahydro-[1,3]oxazolo[3,4-a]pyrazin-3-one (CID 146038258) is 8a-ethyl-7-(1H-indol-4-ylmethyl)-1,5,6,8-tetrahydro-[1,3]oxazolo[3,4-a]pyrazin-3-one.
What is the SMILES notation for 8a-ethyl-7-(1H-indol-4-ylmethyl)-1,5,6,8-tetrahydro-[1,3]oxazolo[3,4-a]pyrazin-3-one?
The canonical SMILES for 8a-ethyl-7-(1H-indol-4-ylmethyl)-1,5,6,8-tetrahydro-[1,3]oxazolo[3,4-a]pyrazin-3-one is CCC12COC(=O)N1CCN(Cc1cccc3[nH]ccc13)C2.
What is the InChIKey of 8a-ethyl-7-(1H-indol-4-ylmethyl)-1,5,6,8-tetrahydro-[1,3]oxazolo[3,4-a]pyrazin-3-one?
The InChIKey is CLSBOUVRCHKAFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O2/c1-2-17-11-19(8-9-20(17)16(21)22-12-17)10-13-4-3-5-15-14(13)6-7-18-15/h3-7,18H,2,8-12H2,1H3.
What are the key properties of 8a-ethyl-7-(1H-indol-4-ylmethyl)-1,5,6,8-tetrahydro-[1,3]oxazolo[3,4-a]pyrazin-3-one?
8a-ethyl-7-(1H-indol-4-ylmethyl)-1,5,6,8-tetrahydro-[1,3]oxazolo[3,4-a]pyrazin-3-one has a molecular weight of 299.37 g/mol, XLogP of 2.58, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8a-ethyl-7-(1H-indol-4-ylmethyl)-1,5,6,8-tetrahydro-[1,3]oxazolo[3,4-a]pyrazin-3-one is sourced from PubChem (CID 146038258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).