2-methyl-1-(1,2,4-oxadiazol-3-ylmethyl)-4,5,6,7-tetrahydroindol-4-ol

C12H15N3O2 — CID 106407948

IUPAC2-methyl-1-(1,2,4-oxadiazol-3-ylmethyl)-4,5,6,7-tetrahydroindol-4-ol
SMILESCc1cc2c(n1Cc1ncon1)CCCC2O
InChIInChI=1S/C12H15N3O2/c1-8-5-9-10(3-2-4-11(9)16)15(8)6-12-13-7-17-14-12/h5,7,11,16H,2-4,6H2,1H3
InChIKeyDLCBKJZNETUINL-UHFFFAOYSA-N
MW233.27 g/mol
LogP1.60
Rot. Bonds2

About 2-methyl-1-(1,2,4-oxadiazol-3-ylmethyl)-4,5,6,7-tetrahydroindol-4-ol

2-methyl-1-(1,2,4-oxadiazol-3-ylmethyl)-4,5,6,7-tetrahydroindol-4-ol (PubChem CID 106407948) has the molecular formula C12H15N3O2 and a molecular weight of 233.27 g/mol. Its IUPAC name is 2-methyl-1-(1,2,4-oxadiazol-3-ylmethyl)-4,5,6,7-tetrahydroindol-4-ol.

Molecular Properties

Compound Name2-methyl-1-(1,2,4-oxadiazol-3-ylmethyl)-4,5,6,7-tetrahydroindol-4-ol
PubChem CID106407948
Molecular FormulaC12H15N3O2
Molecular Weight233.27 g/mol
Exact Mass233.12
IUPAC Name2-methyl-1-(1,2,4-oxadiazol-3-ylmethyl)-4,5,6,7-tetrahydroindol-4-ol
SMILESCc1cc2c(n1Cc1ncon1)CCCC2O
InChIInChI=1S/C12H15N3O2/c1-8-5-9-10(3-2-4-11(9)16)15(8)6-12-13-7-17-14-12/h5,7,11,16H,2-4,6H2,1H3
InChIKeyDLCBKJZNETUINL-UHFFFAOYSA-N
XLogP1.60
TPSA64.08 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.27
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-(1,2,4-oxadiazol-3-ylmethyl)-4,5,6,7-tetrahydroindol-4-ol?
The IUPAC name of 2-methyl-1-(1,2,4-oxadiazol-3-ylmethyl)-4,5,6,7-tetrahydroindol-4-ol (CID 106407948) is 2-methyl-1-(1,2,4-oxadiazol-3-ylmethyl)-4,5,6,7-tetrahydroindol-4-ol.
What is the SMILES notation for 2-methyl-1-(1,2,4-oxadiazol-3-ylmethyl)-4,5,6,7-tetrahydroindol-4-ol?
The canonical SMILES for 2-methyl-1-(1,2,4-oxadiazol-3-ylmethyl)-4,5,6,7-tetrahydroindol-4-ol is Cc1cc2c(n1Cc1ncon1)CCCC2O.
What is the InChIKey of 2-methyl-1-(1,2,4-oxadiazol-3-ylmethyl)-4,5,6,7-tetrahydroindol-4-ol?
The InChIKey is DLCBKJZNETUINL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O2/c1-8-5-9-10(3-2-4-11(9)16)15(8)6-12-13-7-17-14-12/h5,7,11,16H,2-4,6H2,1H3.
What are the key properties of 2-methyl-1-(1,2,4-oxadiazol-3-ylmethyl)-4,5,6,7-tetrahydroindol-4-ol?
2-methyl-1-(1,2,4-oxadiazol-3-ylmethyl)-4,5,6,7-tetrahydroindol-4-ol has a molecular weight of 233.27 g/mol, XLogP of 1.60, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-(1,2,4-oxadiazol-3-ylmethyl)-4,5,6,7-tetrahydroindol-4-ol is sourced from PubChem (CID 106407948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).