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

C13H14N2O2 — CID 106893117

IUPAC1-[5-(2,3-dihydro-1H-inden-2-yl)-1,2,4-oxadiazol-3-yl]ethanol
SMILESCC(O)c1noc(C2Cc3ccccc3C2)n1
InChIInChI=1S/C13H14N2O2/c1-8(16)12-14-13(17-15-12)11-6-9-4-2-3-5-10(9)7-11/h2-5,8,11,16H,6-7H2,1H3
InChIKeyXOZRSYYXAVIEGP-UHFFFAOYSA-N
MW230.27 g/mol
LogP2.01
Rot. Bonds2

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

1-[5-(2,3-dihydro-1H-inden-2-yl)-1,2,4-oxadiazol-3-yl]ethanol (PubChem CID 106893117) has the molecular formula C13H14N2O2 and a molecular weight of 230.27 g/mol. Its IUPAC name is 1-[5-(2,3-dihydro-1H-inden-2-yl)-1,2,4-oxadiazol-3-yl]ethanol.

Molecular Properties

Compound Name1-[5-(2,3-dihydro-1H-inden-2-yl)-1,2,4-oxadiazol-3-yl]ethanol
PubChem CID106893117
Molecular FormulaC13H14N2O2
Molecular Weight230.27 g/mol
Exact Mass230.11
IUPAC Name1-[5-(2,3-dihydro-1H-inden-2-yl)-1,2,4-oxadiazol-3-yl]ethanol
SMILESCC(O)c1noc(C2Cc3ccccc3C2)n1
InChIInChI=1S/C13H14N2O2/c1-8(16)12-14-13(17-15-12)11-6-9-4-2-3-5-10(9)7-11/h2-5,8,11,16H,6-7H2,1H3
InChIKeyXOZRSYYXAVIEGP-UHFFFAOYSA-N
XLogP2.01
TPSA59.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.27
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[5-(2,3-dihydro-1H-inden-2-yl)-1,2,4-oxadiazol-3-yl]ethanol?
The IUPAC name of 1-[5-(2,3-dihydro-1H-inden-2-yl)-1,2,4-oxadiazol-3-yl]ethanol (CID 106893117) is 1-[5-(2,3-dihydro-1H-inden-2-yl)-1,2,4-oxadiazol-3-yl]ethanol.
What is the SMILES notation for 1-[5-(2,3-dihydro-1H-inden-2-yl)-1,2,4-oxadiazol-3-yl]ethanol?
The canonical SMILES for 1-[5-(2,3-dihydro-1H-inden-2-yl)-1,2,4-oxadiazol-3-yl]ethanol is CC(O)c1noc(C2Cc3ccccc3C2)n1.
What is the InChIKey of 1-[5-(2,3-dihydro-1H-inden-2-yl)-1,2,4-oxadiazol-3-yl]ethanol?
The InChIKey is XOZRSYYXAVIEGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O2/c1-8(16)12-14-13(17-15-12)11-6-9-4-2-3-5-10(9)7-11/h2-5,8,11,16H,6-7H2,1H3.
What are the key properties of 1-[5-(2,3-dihydro-1H-inden-2-yl)-1,2,4-oxadiazol-3-yl]ethanol?
1-[5-(2,3-dihydro-1H-inden-2-yl)-1,2,4-oxadiazol-3-yl]ethanol has a molecular weight of 230.27 g/mol, XLogP of 2.01, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(2,3-dihydro-1H-inden-2-yl)-1,2,4-oxadiazol-3-yl]ethanol is sourced from PubChem (CID 106893117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).