3-methyl-5-(1,2,4-oxadiazol-3-ylmethoxy)phenol

C10H10N2O3 — CID 107679961

IUPAC3-methyl-5-(1,2,4-oxadiazol-3-ylmethoxy)phenol
SMILESCc1cc(O)cc(OCc2ncon2)c1
InChIInChI=1S/C10H10N2O3/c1-7-2-8(13)4-9(3-7)14-5-10-11-6-15-12-10/h2-4,6,13H,5H2,1H3
InChIKeyMIDKNFFOXVMRIM-UHFFFAOYSA-N
MW206.20 g/mol
LogP1.66
Rot. Bonds3

About 3-methyl-5-(1,2,4-oxadiazol-3-ylmethoxy)phenol

3-methyl-5-(1,2,4-oxadiazol-3-ylmethoxy)phenol (PubChem CID 107679961) has the molecular formula C10H10N2O3 and a molecular weight of 206.20 g/mol. Its IUPAC name is 3-methyl-5-(1,2,4-oxadiazol-3-ylmethoxy)phenol.

Molecular Properties

Compound Name3-methyl-5-(1,2,4-oxadiazol-3-ylmethoxy)phenol
PubChem CID107679961
Molecular FormulaC10H10N2O3
Molecular Weight206.20 g/mol
Exact Mass206.07
IUPAC Name3-methyl-5-(1,2,4-oxadiazol-3-ylmethoxy)phenol
SMILESCc1cc(O)cc(OCc2ncon2)c1
InChIInChI=1S/C10H10N2O3/c1-7-2-8(13)4-9(3-7)14-5-10-11-6-15-12-10/h2-4,6,13H,5H2,1H3
InChIKeyMIDKNFFOXVMRIM-UHFFFAOYSA-N
XLogP1.66
TPSA68.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.20
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-5-(1,2,4-oxadiazol-3-ylmethoxy)phenol?
The IUPAC name of 3-methyl-5-(1,2,4-oxadiazol-3-ylmethoxy)phenol (CID 107679961) is 3-methyl-5-(1,2,4-oxadiazol-3-ylmethoxy)phenol.
What is the SMILES notation for 3-methyl-5-(1,2,4-oxadiazol-3-ylmethoxy)phenol?
The canonical SMILES for 3-methyl-5-(1,2,4-oxadiazol-3-ylmethoxy)phenol is Cc1cc(O)cc(OCc2ncon2)c1.
What is the InChIKey of 3-methyl-5-(1,2,4-oxadiazol-3-ylmethoxy)phenol?
The InChIKey is MIDKNFFOXVMRIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2O3/c1-7-2-8(13)4-9(3-7)14-5-10-11-6-15-12-10/h2-4,6,13H,5H2,1H3.
What are the key properties of 3-methyl-5-(1,2,4-oxadiazol-3-ylmethoxy)phenol?
3-methyl-5-(1,2,4-oxadiazol-3-ylmethoxy)phenol has a molecular weight of 206.20 g/mol, XLogP of 1.66, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-(1,2,4-oxadiazol-3-ylmethoxy)phenol is sourced from PubChem (CID 107679961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).