3-[2-(1H-indol-3-yl)ethyl]-1,4,2-dioxazol-5-one

C12H10N2O3 — CID 139312081

IUPAC3-[2-(1H-indol-3-yl)ethyl]-1,4,2-dioxazol-5-one
SMILESO=c1onc(CCc2c[nH]c3ccccc23)o1
InChIInChI=1S/C12H10N2O3/c15-12-16-11(14-17-12)6-5-8-7-13-10-4-2-1-3-9(8)10/h1-4,7,13H,5-6H2
InChIKeyGGXOINGLSHBWEW-UHFFFAOYSA-N
MW230.22 g/mol
LogP1.89
Rot. Bonds3

About 3-[2-(1H-indol-3-yl)ethyl]-1,4,2-dioxazol-5-one

3-[2-(1H-indol-3-yl)ethyl]-1,4,2-dioxazol-5-one (PubChem CID 139312081) has the molecular formula C12H10N2O3 and a molecular weight of 230.22 g/mol. Its IUPAC name is 3-[2-(1H-indol-3-yl)ethyl]-1,4,2-dioxazol-5-one.

Molecular Properties

Compound Name3-[2-(1H-indol-3-yl)ethyl]-1,4,2-dioxazol-5-one
PubChem CID139312081
Molecular FormulaC12H10N2O3
Molecular Weight230.22 g/mol
Exact Mass230.07
IUPAC Name3-[2-(1H-indol-3-yl)ethyl]-1,4,2-dioxazol-5-one
SMILESO=c1onc(CCc2c[nH]c3ccccc23)o1
InChIInChI=1S/C12H10N2O3/c15-12-16-11(14-17-12)6-5-8-7-13-10-4-2-1-3-9(8)10/h1-4,7,13H,5-6H2
InChIKeyGGXOINGLSHBWEW-UHFFFAOYSA-N
XLogP1.89
TPSA72.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.22
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-[2-(1H-indol-3-yl)ethyl]-3H-1,3,4-oxadiazole-2-thione
CID 86272987
3-[4-(1H-indol-3-yl)butyl]-1H-indole
CID 57060044
5-[2-(1H-indol-3-yl)ethyl]-3-(4-nitrophenyl)-1,2,4-oxadiazole
CID 13104110
bis[4-[2-(1H-indol-3-yl)ethyl]phenyl]methanone
CID 91093763
2-[2-(1H-indol-3-yl)ethyl]-3H-quinazolin-4-one
CID 136903472
3-(1H-indol-3-yl)propane-1,1-diol
CID 22219738
N-hydroxy-3-(1H-indol-3-yl)propanamide
CID 23938574
2-(1H-indol-3-yl)ethanol;nitrous acid
CID 162624024
3-(1H-indol-3-yl)propanoyloxidanium
CID 142492757
3-(2-pyridin-3-ylethyl)-1H-indole
CID 19005702
1-(1,2-benzoxazol-3-yl)-N-[2-(1H-indol-3-yl)ethyl]methanesulfonamide
CID 90624527
3-ethyl-1H-indole;methanamine
CID 142222050

Frequently Asked Questions

What is the IUPAC name of 3-[2-(1H-indol-3-yl)ethyl]-1,4,2-dioxazol-5-one?
The IUPAC name of 3-[2-(1H-indol-3-yl)ethyl]-1,4,2-dioxazol-5-one (CID 139312081) is 3-[2-(1H-indol-3-yl)ethyl]-1,4,2-dioxazol-5-one.
What is the SMILES notation for 3-[2-(1H-indol-3-yl)ethyl]-1,4,2-dioxazol-5-one?
The canonical SMILES for 3-[2-(1H-indol-3-yl)ethyl]-1,4,2-dioxazol-5-one is O=c1onc(CCc2c[nH]c3ccccc23)o1.
What is the InChIKey of 3-[2-(1H-indol-3-yl)ethyl]-1,4,2-dioxazol-5-one?
The InChIKey is GGXOINGLSHBWEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N2O3/c15-12-16-11(14-17-12)6-5-8-7-13-10-4-2-1-3-9(8)10/h1-4,7,13H,5-6H2.
What are the key properties of 3-[2-(1H-indol-3-yl)ethyl]-1,4,2-dioxazol-5-one?
3-[2-(1H-indol-3-yl)ethyl]-1,4,2-dioxazol-5-one has a molecular weight of 230.22 g/mol, XLogP of 1.89, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(1H-indol-3-yl)ethyl]-1,4,2-dioxazol-5-one is sourced from PubChem (CID 139312081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).