5-(1,2,4-oxadiazol-3-ylmethoxy)-1,2,3,4-tetrahydronaphthalen-1-ol

C13H14N2O3 — CID 60703094

IUPAC5-(1,2,4-oxadiazol-3-ylmethoxy)-1,2,3,4-tetrahydronaphthalen-1-ol
SMILESOC1CCCc2c(OCc3ncon3)cccc21
InChIInChI=1S/C13H14N2O3/c16-11-5-1-4-10-9(11)3-2-6-12(10)17-7-13-14-8-18-15-13/h2-3,6,8,11,16H,1,4-5,7H2
InChIKeyLRANURHWPWRIJC-UHFFFAOYSA-N
MW246.27 g/mol
LogP2.02
Rot. Bonds3

About 5-(1,2,4-oxadiazol-3-ylmethoxy)-1,2,3,4-tetrahydronaphthalen-1-ol

5-(1,2,4-oxadiazol-3-ylmethoxy)-1,2,3,4-tetrahydronaphthalen-1-ol (PubChem CID 60703094) has the molecular formula C13H14N2O3 and a molecular weight of 246.27 g/mol. Its IUPAC name is 5-(1,2,4-oxadiazol-3-ylmethoxy)-1,2,3,4-tetrahydronaphthalen-1-ol.

Molecular Properties

Compound Name5-(1,2,4-oxadiazol-3-ylmethoxy)-1,2,3,4-tetrahydronaphthalen-1-ol
PubChem CID60703094
Molecular FormulaC13H14N2O3
Molecular Weight246.27 g/mol
Exact Mass246.10
IUPAC Name5-(1,2,4-oxadiazol-3-ylmethoxy)-1,2,3,4-tetrahydronaphthalen-1-ol
SMILESOC1CCCc2c(OCc3ncon3)cccc21
InChIInChI=1S/C13H14N2O3/c16-11-5-1-4-10-9(11)3-2-6-12(10)17-7-13-14-8-18-15-13/h2-3,6,8,11,16H,1,4-5,7H2
InChIKeyLRANURHWPWRIJC-UHFFFAOYSA-N
XLogP2.02
TPSA68.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.27
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 5-(1,2,4-oxadiazol-3-ylmethoxy)-1,2,3,4-tetrahydronaphthalen-1-ol with MolForge

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Related Compounds

5-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]-1,2,3,4-tetrahydronaphthalen-1-ol
CID 60746651
5-[(3,4-dichlorophenyl)methoxy]-1,2,3,4-tetrahydronaphthalen-1-ol
CID 60627582
5-[(2-bromophenyl)methoxy]-1,2,3,4-tetrahydronaphthalen-1-ol
CID 60711761
4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]-2,3-dihydro-1H-inden-1-ol
CID 63089486
5-(2,2-difluoroethoxy)-1,2,3,4-tetrahydronaphthalen-1-ol
CID 65456544
(1R)-5-[(5-chlorothiadiazol-4-yl)methoxy]-1,2,3,4-tetrahydronaphthalen-1-ol
CID 94178772
5-[(5-methyloxolan-2-yl)methoxy]-1,2,3,4-tetrahydronaphthalen-1-ol
CID 103135185
5-(cyclopropylmethoxymethoxy)-1,2,3,4-tetrahydronaphthalen-1-ol
CID 106929819
5-[(2-chloro-5-fluorophenyl)methoxy]-1,2,3,4-tetrahydronaphthalen-1-ol
CID 102616513
5-[(2-bromo-4-fluorophenyl)methoxy]-1,2,3,4-tetrahydronaphthalen-1-ol
CID 60711814
5-[(1-ethylpyrazol-4-yl)methoxy]-1,2,3,4-tetrahydronaphthalen-1-ol
CID 65454842
5-[(5-chloro-1,3-dimethylpyrazol-4-yl)methoxy]-1,2,3,4-tetrahydronaphthalen-1-ol
CID 115582286

Frequently Asked Questions

What is the IUPAC name of 5-(1,2,4-oxadiazol-3-ylmethoxy)-1,2,3,4-tetrahydronaphthalen-1-ol?
The IUPAC name of 5-(1,2,4-oxadiazol-3-ylmethoxy)-1,2,3,4-tetrahydronaphthalen-1-ol (CID 60703094) is 5-(1,2,4-oxadiazol-3-ylmethoxy)-1,2,3,4-tetrahydronaphthalen-1-ol.
What is the SMILES notation for 5-(1,2,4-oxadiazol-3-ylmethoxy)-1,2,3,4-tetrahydronaphthalen-1-ol?
The canonical SMILES for 5-(1,2,4-oxadiazol-3-ylmethoxy)-1,2,3,4-tetrahydronaphthalen-1-ol is OC1CCCc2c(OCc3ncon3)cccc21.
What is the InChIKey of 5-(1,2,4-oxadiazol-3-ylmethoxy)-1,2,3,4-tetrahydronaphthalen-1-ol?
The InChIKey is LRANURHWPWRIJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O3/c16-11-5-1-4-10-9(11)3-2-6-12(10)17-7-13-14-8-18-15-13/h2-3,6,8,11,16H,1,4-5,7H2.
What are the key properties of 5-(1,2,4-oxadiazol-3-ylmethoxy)-1,2,3,4-tetrahydronaphthalen-1-ol?
5-(1,2,4-oxadiazol-3-ylmethoxy)-1,2,3,4-tetrahydronaphthalen-1-ol has a molecular weight of 246.27 g/mol, XLogP of 2.02, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1,2,4-oxadiazol-3-ylmethoxy)-1,2,3,4-tetrahydronaphthalen-1-ol is sourced from PubChem (CID 60703094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).