1-[2-(1,2,4-oxadiazol-3-yl)ethyl]-4,5,6,7-tetrahydroindol-4-ol

C12H15N3O2 — CID 114185094

IUPAC1-[2-(1,2,4-oxadiazol-3-yl)ethyl]-4,5,6,7-tetrahydroindol-4-ol
SMILESOC1CCCc2c1ccn2CCc1ncon1
InChIInChI=1S/C12H15N3O2/c16-11-3-1-2-10-9(11)4-6-15(10)7-5-12-13-8-17-14-12/h4,6,8,11,16H,1-3,5,7H2
InChIKeyGXMXRRBLZVAGFP-UHFFFAOYSA-N
MW233.27 g/mol
LogP1.48
Rot. Bonds3

About 1-[2-(1,2,4-oxadiazol-3-yl)ethyl]-4,5,6,7-tetrahydroindol-4-ol

1-[2-(1,2,4-oxadiazol-3-yl)ethyl]-4,5,6,7-tetrahydroindol-4-ol (PubChem CID 114185094) has the molecular formula C12H15N3O2 and a molecular weight of 233.27 g/mol. Its IUPAC name is 1-[2-(1,2,4-oxadiazol-3-yl)ethyl]-4,5,6,7-tetrahydroindol-4-ol.

Molecular Properties

Compound Name1-[2-(1,2,4-oxadiazol-3-yl)ethyl]-4,5,6,7-tetrahydroindol-4-ol
PubChem CID114185094
Molecular FormulaC12H15N3O2
Molecular Weight233.27 g/mol
Exact Mass233.12
IUPAC Name1-[2-(1,2,4-oxadiazol-3-yl)ethyl]-4,5,6,7-tetrahydroindol-4-ol
SMILESOC1CCCc2c1ccn2CCc1ncon1
InChIInChI=1S/C12H15N3O2/c16-11-3-1-2-10-9(11)4-6-15(10)7-5-12-13-8-17-14-12/h4,6,8,11,16H,1-3,5,7H2
InChIKeyGXMXRRBLZVAGFP-UHFFFAOYSA-N
XLogP1.48
TPSA64.08 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.27
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(1,2,4-oxadiazol-3-yl)ethyl]-4,5,6,7-tetrahydroindol-4-ol?
The IUPAC name of 1-[2-(1,2,4-oxadiazol-3-yl)ethyl]-4,5,6,7-tetrahydroindol-4-ol (CID 114185094) is 1-[2-(1,2,4-oxadiazol-3-yl)ethyl]-4,5,6,7-tetrahydroindol-4-ol.
What is the SMILES notation for 1-[2-(1,2,4-oxadiazol-3-yl)ethyl]-4,5,6,7-tetrahydroindol-4-ol?
The canonical SMILES for 1-[2-(1,2,4-oxadiazol-3-yl)ethyl]-4,5,6,7-tetrahydroindol-4-ol is OC1CCCc2c1ccn2CCc1ncon1.
What is the InChIKey of 1-[2-(1,2,4-oxadiazol-3-yl)ethyl]-4,5,6,7-tetrahydroindol-4-ol?
The InChIKey is GXMXRRBLZVAGFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O2/c16-11-3-1-2-10-9(11)4-6-15(10)7-5-12-13-8-17-14-12/h4,6,8,11,16H,1-3,5,7H2.
What are the key properties of 1-[2-(1,2,4-oxadiazol-3-yl)ethyl]-4,5,6,7-tetrahydroindol-4-ol?
1-[2-(1,2,4-oxadiazol-3-yl)ethyl]-4,5,6,7-tetrahydroindol-4-ol has a molecular weight of 233.27 g/mol, XLogP of 1.48, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(1,2,4-oxadiazol-3-yl)ethyl]-4,5,6,7-tetrahydroindol-4-ol is sourced from PubChem (CID 114185094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).