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

C13H14N2O3 — CID 63089486

IUPAC4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]-2,3-dihydro-1H-inden-1-ol
SMILESCc1nc(COc2cccc3c2CCC3O)no1
InChIInChI=1S/C13H14N2O3/c1-8-14-13(15-18-8)7-17-12-4-2-3-9-10(12)5-6-11(9)16/h2-4,11,16H,5-7H2,1H3
InChIKeyNIBZCLDOKFSKSI-UHFFFAOYSA-N
MW246.27 g/mol
LogP1.94
Rot. Bonds3

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

4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]-2,3-dihydro-1H-inden-1-ol (PubChem CID 63089486) has the molecular formula C13H14N2O3 and a molecular weight of 246.27 g/mol. Its IUPAC name is 4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]-2,3-dihydro-1H-inden-1-ol.

Molecular Properties

Compound Name4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]-2,3-dihydro-1H-inden-1-ol
PubChem CID63089486
Molecular FormulaC13H14N2O3
Molecular Weight246.27 g/mol
Exact Mass246.10
IUPAC Name4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]-2,3-dihydro-1H-inden-1-ol
SMILESCc1nc(COc2cccc3c2CCC3O)no1
InChIInChI=1S/C13H14N2O3/c1-8-14-13(15-18-8)7-17-12-4-2-3-9-10(12)5-6-11(9)16/h2-4,11,16H,5-7H2,1H3
InChIKeyNIBZCLDOKFSKSI-UHFFFAOYSA-N
XLogP1.94
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 ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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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
4-[(2-methyl-1,3-thiazol-5-yl)methoxy]-2,3-dihydro-1H-inden-1-ol
CID 63091210
5-(1,2,4-oxadiazol-3-ylmethoxy)-1,2,3,4-tetrahydronaphthalen-1-ol
CID 60703094
4-(1,3-thiazol-5-ylmethoxy)-2,3-dihydro-1H-inden-1-ol
CID 112641052
(1R)-4-(cyclopropylmethoxy)-2,3-dihydro-1H-inden-1-ol
CID 95012649
4-[(2-bromophenyl)methoxy]-2,3-dihydro-1H-inden-1-ol
CID 63091043
5-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methoxy]-1,2,3,4-tetrahydronaphthalen-1-amine
CID 65456301
2-[(1-hydroxy-2,3-dihydro-1H-inden-4-yl)oxy]acetonitrile
CID 63090888
1-[2-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]ethanol
CID 43503950
5-[(5-propyl-1,2,4-oxadiazol-3-yl)methoxy]-1,2,3,4-tetrahydronaphthalen-1-amine
CID 65456302
5-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methoxy]-1,2,3,4-tetrahydronaphthalen-1-amine
CID 65456100
5-methyl-3-(1,2,3,4-tetrahydroquinolin-8-yloxymethyl)-1,2,4-oxadiazole
CID 54909082

Frequently Asked Questions

What is the IUPAC name of 4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]-2,3-dihydro-1H-inden-1-ol?
The IUPAC name of 4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]-2,3-dihydro-1H-inden-1-ol (CID 63089486) is 4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]-2,3-dihydro-1H-inden-1-ol.
What is the SMILES notation for 4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]-2,3-dihydro-1H-inden-1-ol?
The canonical SMILES for 4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]-2,3-dihydro-1H-inden-1-ol is Cc1nc(COc2cccc3c2CCC3O)no1.
What is the InChIKey of 4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]-2,3-dihydro-1H-inden-1-ol?
The InChIKey is NIBZCLDOKFSKSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O3/c1-8-14-13(15-18-8)7-17-12-4-2-3-9-10(12)5-6-11(9)16/h2-4,11,16H,5-7H2,1H3.
What are the key properties of 4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]-2,3-dihydro-1H-inden-1-ol?
4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]-2,3-dihydro-1H-inden-1-ol has a molecular weight of 246.27 g/mol, XLogP of 1.94, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]-2,3-dihydro-1H-inden-1-ol is sourced from PubChem (CID 63089486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).