1,3-benzodioxole;7-(1-hydroxypropan-2-yl)-1-(1H-indol-3-yl)-3,6-dihydro-[1,3]oxazolo[3,4-a]pyrazine-5,8-dione

C24H23N3O6 — CID 155575124

IUPAC1,3-benzodioxole;7-(1-hydroxypropan-2-yl)-1-(1H-indol-3-yl)-3,6-dihydro-[1,3]oxazolo[3,4-a]pyrazine-5,8-dione
SMILESCC(CO)N1CC(=O)N2COC(c3c[nH]c4ccccc34)=C2C1=O.c1ccc2c(c1)OCO2
InChIInChI=1S/C17H17N3O4.C7H6O2/c1-10(8-21)19-7-14(22)20-9-24-16(15(20)17(19)23)12-6-18-13-5-3-2-4-11(12)13;1-2-4-7-6(3-1)8-5-9-7/h2-6,10,18,21H,7-9H2,1H3;1-4H,5H2
InChIKeyRZCGEBUKHLNLMT-UHFFFAOYSA-N
MW449.46 g/mol
LogP2.29
Rot. Bonds3

About 1,3-benzodioxole;7-(1-hydroxypropan-2-yl)-1-(1H-indol-3-yl)-3,6-dihydro-[1,3]oxazolo[3,4-a]pyrazine-5,8-dione

1,3-benzodioxole;7-(1-hydroxypropan-2-yl)-1-(1H-indol-3-yl)-3,6-dihydro-[1,3]oxazolo[3,4-a]pyrazine-5,8-dione (PubChem CID 155575124) has the molecular formula C24H23N3O6 and a molecular weight of 449.46 g/mol. Its IUPAC name is 1,3-benzodioxole;7-(1-hydroxypropan-2-yl)-1-(1H-indol-3-yl)-3,6-dihydro-[1,3]oxazolo[3,4-a]pyrazine-5,8-dione.

Molecular Properties

Compound Name1,3-benzodioxole;7-(1-hydroxypropan-2-yl)-1-(1H-indol-3-yl)-3,6-dihydro-[1,3]oxazolo[3,4-a]pyrazine-5,8-dione
PubChem CID155575124
Molecular FormulaC24H23N3O6
Molecular Weight449.46 g/mol
Exact Mass449.16
IUPAC Name1,3-benzodioxole;7-(1-hydroxypropan-2-yl)-1-(1H-indol-3-yl)-3,6-dihydro-[1,3]oxazolo[3,4-a]pyrazine-5,8-dione
SMILESCC(CO)N1CC(=O)N2COC(c3c[nH]c4ccccc34)=C2C1=O.c1ccc2c(c1)OCO2
InChIInChI=1S/C17H17N3O4.C7H6O2/c1-10(8-21)19-7-14(22)20-9-24-16(15(20)17(19)23)12-6-18-13-5-3-2-4-11(12)13;1-2-4-7-6(3-1)8-5-9-7/h2-6,10,18,21H,7-9H2,1H3;1-4H,5H2
InChIKeyRZCGEBUKHLNLMT-UHFFFAOYSA-N
XLogP2.29
TPSA104.33 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.46
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 1,3-benzodioxole;7-(1-hydroxypropan-2-yl)-1-(1H-indol-3-yl)-3,6-dihydro-[1,3]oxazolo[3,4-a]pyrazine-5,8-dione with MolForge

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Related Compounds

(3S)-2-[(2S)-1-hydroxypropan-2-yl]-3-(1H-indol-3-yl)-3H-isoindol-1-one
CID 7341830
3-(1H-indol-3-yl)-4-methyl-1-[(2S)-2-methylbutyl]-2H-pyrrol-5-one
CID 166558530
(2S)-1-(1,3-benzodioxol-5-ylmethyl)-2-(1H-indol-3-yl)-3,4-dimethyl-2H-pyrrol-5-one
CID 41168492
3,4-bis(1H-indol-3-yl)-1-methylpyrrole-2,5-dione
CID 2400
(2S)-N-[2-(1H-indol-3-yl)ethyl]-2-(3-oxo-1H-isoindol-2-yl)propanamide
CID 40649871
2-[[4-cyclopropyl-5-(1H-indol-3-yl)-1,2,4-triazol-3-yl]sulfanyl]-N-[(1S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]acetamide
CID 135957850
methyl (2S)-2-[3,4-bis(1H-indol-3-yl)-2,5-dioxopyrrol-1-yl]propanoate
CID 46218510
2-(1-hydroxypropan-2-yl)-1H-indazol-3-one
CID 90945721
7-ethyl-3-(1H-indol-3-yl)-1H-indole
CID 46901494
1-[2-(1H-indol-3-yl)phenyl]-N,N-dimethylmethanamine
CID 174403598
[(2R)-1-[[(4R)-3,4-dihydro-2H-chromen-4-yl]amino]-1-oxopropan-2-yl] 2-(1H-indol-3-yl)acetate
CID 30442437
[(2S)-1-[[(4S)-3,4-dihydro-2H-chromen-4-yl]amino]-1-oxopropan-2-yl] 2-(1H-indol-3-yl)acetate
CID 30442448

Frequently Asked Questions

What is the IUPAC name of 1,3-benzodioxole;7-(1-hydroxypropan-2-yl)-1-(1H-indol-3-yl)-3,6-dihydro-[1,3]oxazolo[3,4-a]pyrazine-5,8-dione?
The IUPAC name of 1,3-benzodioxole;7-(1-hydroxypropan-2-yl)-1-(1H-indol-3-yl)-3,6-dihydro-[1,3]oxazolo[3,4-a]pyrazine-5,8-dione (CID 155575124) is 1,3-benzodioxole;7-(1-hydroxypropan-2-yl)-1-(1H-indol-3-yl)-3,6-dihydro-[1,3]oxazolo[3,4-a]pyrazine-5,8-dione.
What is the SMILES notation for 1,3-benzodioxole;7-(1-hydroxypropan-2-yl)-1-(1H-indol-3-yl)-3,6-dihydro-[1,3]oxazolo[3,4-a]pyrazine-5,8-dione?
The canonical SMILES for 1,3-benzodioxole;7-(1-hydroxypropan-2-yl)-1-(1H-indol-3-yl)-3,6-dihydro-[1,3]oxazolo[3,4-a]pyrazine-5,8-dione is CC(CO)N1CC(=O)N2COC(c3c[nH]c4ccccc34)=C2C1=O.c1ccc2c(c1)OCO2.
What is the InChIKey of 1,3-benzodioxole;7-(1-hydroxypropan-2-yl)-1-(1H-indol-3-yl)-3,6-dihydro-[1,3]oxazolo[3,4-a]pyrazine-5,8-dione?
The InChIKey is RZCGEBUKHLNLMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O4.C7H6O2/c1-10(8-21)19-7-14(22)20-9-24-16(15(20)17(19)23)12-6-18-13-5-3-2-4-11(12)13;1-2-4-7-6(3-1)8-5-9-7/h2-6,10,18,21H,7-9H2,1H3;1-4H,5H2.
What are the key properties of 1,3-benzodioxole;7-(1-hydroxypropan-2-yl)-1-(1H-indol-3-yl)-3,6-dihydro-[1,3]oxazolo[3,4-a]pyrazine-5,8-dione?
1,3-benzodioxole;7-(1-hydroxypropan-2-yl)-1-(1H-indol-3-yl)-3,6-dihydro-[1,3]oxazolo[3,4-a]pyrazine-5,8-dione has a molecular weight of 449.46 g/mol, XLogP of 2.29, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-benzodioxole;7-(1-hydroxypropan-2-yl)-1-(1H-indol-3-yl)-3,6-dihydro-[1,3]oxazolo[3,4-a]pyrazine-5,8-dione is sourced from PubChem (CID 155575124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).