5-[(3-ethyl-1,2,4-oxadiazol-5-yl)methoxy]-2,3-dihydro-1H-inden-1-ol

C14H16N2O3 — CID 107684835

IUPAC5-[(3-ethyl-1,2,4-oxadiazol-5-yl)methoxy]-2,3-dihydro-1H-inden-1-ol
SMILESCCc1noc(COc2ccc3c(c2)CCC3O)n1
InChIInChI=1S/C14H16N2O3/c1-2-13-15-14(19-16-13)8-18-10-4-5-11-9(7-10)3-6-12(11)17/h4-5,7,12,17H,2-3,6,8H2,1H3
InChIKeyAHUSGXGIUHYMRF-UHFFFAOYSA-N
MW260.29 g/mol
LogP2.19
Rot. Bonds4

About 5-[(3-ethyl-1,2,4-oxadiazol-5-yl)methoxy]-2,3-dihydro-1H-inden-1-ol

5-[(3-ethyl-1,2,4-oxadiazol-5-yl)methoxy]-2,3-dihydro-1H-inden-1-ol (PubChem CID 107684835) has the molecular formula C14H16N2O3 and a molecular weight of 260.29 g/mol. Its IUPAC name is 5-[(3-ethyl-1,2,4-oxadiazol-5-yl)methoxy]-2,3-dihydro-1H-inden-1-ol.

Molecular Properties

Compound Name5-[(3-ethyl-1,2,4-oxadiazol-5-yl)methoxy]-2,3-dihydro-1H-inden-1-ol
PubChem CID107684835
Molecular FormulaC14H16N2O3
Molecular Weight260.29 g/mol
Exact Mass260.12
IUPAC Name5-[(3-ethyl-1,2,4-oxadiazol-5-yl)methoxy]-2,3-dihydro-1H-inden-1-ol
SMILESCCc1noc(COc2ccc3c(c2)CCC3O)n1
InChIInChI=1S/C14H16N2O3/c1-2-13-15-14(19-16-13)8-18-10-4-5-11-9(7-10)3-6-12(11)17/h4-5,7,12,17H,2-3,6,8H2,1H3
InChIKeyAHUSGXGIUHYMRF-UHFFFAOYSA-N
XLogP2.19
TPSA68.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.29
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 5-[(3-ethyl-1,2,4-oxadiazol-5-yl)methoxy]-2,3-dihydro-1H-inden-1-ol with MolForge

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Related Compounds

5-[(5-ethyl-1,3,4-oxadiazol-2-yl)methoxy]-2,3-dihydro-1H-inden-1-ol
CID 107684791
3-[(3-ethyl-1,2,4-oxadiazol-5-yl)methoxy]phenol
CID 43143517
5-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methoxy]-2,3-dihydro-1H-inden-1-ol
CID 107684852
[3-[(3-ethyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]methanol
CID 28782950
5-[(4-hydroxyphenyl)methoxy]-2,3-dihydro-1H-inden-1-ol
CID 107684857
(1R)-1-[3-[(3-ethyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]ethanol
CID 55189536
5-[(4-methoxy-6-methyl-2-pyridinyl)methoxy]-2,3-dihydro-1H-inden-1-ol
CID 107684595
5-octoxy-2,3-dihydro-1H-inden-1-ol
CID 107684624
[3-[(3-ethyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]methanamine
CID 60879242
(1R)-5-[(2-methyl-1,2,4-triazol-3-yl)methoxy]-2,3-dihydro-1H-inden-1-ol
CID 114091307
1-[4-[(3-ethyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]ethanone
CID 28782310
5-(2-hydroxybutoxy)-2,3-dihydro-1H-inden-1-ol
CID 107684878

Frequently Asked Questions

What is the IUPAC name of 5-[(3-ethyl-1,2,4-oxadiazol-5-yl)methoxy]-2,3-dihydro-1H-inden-1-ol?
The IUPAC name of 5-[(3-ethyl-1,2,4-oxadiazol-5-yl)methoxy]-2,3-dihydro-1H-inden-1-ol (CID 107684835) is 5-[(3-ethyl-1,2,4-oxadiazol-5-yl)methoxy]-2,3-dihydro-1H-inden-1-ol.
What is the SMILES notation for 5-[(3-ethyl-1,2,4-oxadiazol-5-yl)methoxy]-2,3-dihydro-1H-inden-1-ol?
The canonical SMILES for 5-[(3-ethyl-1,2,4-oxadiazol-5-yl)methoxy]-2,3-dihydro-1H-inden-1-ol is CCc1noc(COc2ccc3c(c2)CCC3O)n1.
What is the InChIKey of 5-[(3-ethyl-1,2,4-oxadiazol-5-yl)methoxy]-2,3-dihydro-1H-inden-1-ol?
The InChIKey is AHUSGXGIUHYMRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O3/c1-2-13-15-14(19-16-13)8-18-10-4-5-11-9(7-10)3-6-12(11)17/h4-5,7,12,17H,2-3,6,8H2,1H3.
What are the key properties of 5-[(3-ethyl-1,2,4-oxadiazol-5-yl)methoxy]-2,3-dihydro-1H-inden-1-ol?
5-[(3-ethyl-1,2,4-oxadiazol-5-yl)methoxy]-2,3-dihydro-1H-inden-1-ol has a molecular weight of 260.29 g/mol, XLogP of 2.19, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3-ethyl-1,2,4-oxadiazol-5-yl)methoxy]-2,3-dihydro-1H-inden-1-ol is sourced from PubChem (CID 107684835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).