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

C14H16N2O3 — CID 107684791

IUPAC5-[(5-ethyl-1,3,4-oxadiazol-2-yl)methoxy]-2,3-dihydro-1H-inden-1-ol
SMILESCCc1nnc(COc2ccc3c(c2)CCC3O)o1
InChIInChI=1S/C14H16N2O3/c1-2-13-15-16-14(19-13)8-18-10-4-5-11-9(7-10)3-6-12(11)17/h4-5,7,12,17H,2-3,6,8H2,1H3
InChIKeySZBZYWMZCVYWSV-UHFFFAOYSA-N
MW260.29 g/mol
LogP2.19
Rot. Bonds4

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

5-[(5-ethyl-1,3,4-oxadiazol-2-yl)methoxy]-2,3-dihydro-1H-inden-1-ol (PubChem CID 107684791) has the molecular formula C14H16N2O3 and a molecular weight of 260.29 g/mol. Its IUPAC name is 5-[(5-ethyl-1,3,4-oxadiazol-2-yl)methoxy]-2,3-dihydro-1H-inden-1-ol.

Molecular Properties

Compound Name5-[(5-ethyl-1,3,4-oxadiazol-2-yl)methoxy]-2,3-dihydro-1H-inden-1-ol
PubChem CID107684791
Molecular FormulaC14H16N2O3
Molecular Weight260.29 g/mol
Exact Mass260.12
IUPAC Name5-[(5-ethyl-1,3,4-oxadiazol-2-yl)methoxy]-2,3-dihydro-1H-inden-1-ol
SMILESCCc1nnc(COc2ccc3c(c2)CCC3O)o1
InChIInChI=1S/C14H16N2O3/c1-2-13-15-16-14(19-13)8-18-10-4-5-11-9(7-10)3-6-12(11)17/h4-5,7,12,17H,2-3,6,8H2,1H3
InChIKeySZBZYWMZCVYWSV-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

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Frequently Asked Questions

What is the IUPAC name of 5-[(5-ethyl-1,3,4-oxadiazol-2-yl)methoxy]-2,3-dihydro-1H-inden-1-ol?
The IUPAC name of 5-[(5-ethyl-1,3,4-oxadiazol-2-yl)methoxy]-2,3-dihydro-1H-inden-1-ol (CID 107684791) is 5-[(5-ethyl-1,3,4-oxadiazol-2-yl)methoxy]-2,3-dihydro-1H-inden-1-ol.
What is the SMILES notation for 5-[(5-ethyl-1,3,4-oxadiazol-2-yl)methoxy]-2,3-dihydro-1H-inden-1-ol?
The canonical SMILES for 5-[(5-ethyl-1,3,4-oxadiazol-2-yl)methoxy]-2,3-dihydro-1H-inden-1-ol is CCc1nnc(COc2ccc3c(c2)CCC3O)o1.
What is the InChIKey of 5-[(5-ethyl-1,3,4-oxadiazol-2-yl)methoxy]-2,3-dihydro-1H-inden-1-ol?
The InChIKey is SZBZYWMZCVYWSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O3/c1-2-13-15-16-14(19-13)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-[(5-ethyl-1,3,4-oxadiazol-2-yl)methoxy]-2,3-dihydro-1H-inden-1-ol?
5-[(5-ethyl-1,3,4-oxadiazol-2-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-[(5-ethyl-1,3,4-oxadiazol-2-yl)methoxy]-2,3-dihydro-1H-inden-1-ol is sourced from PubChem (CID 107684791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).