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

C13H10N2O2S — CID 63852485

IUPAC2-methyl-5-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)phenol
SMILESCc1ccc(-c2nc(-c3ccsc3)no2)cc1O
InChIInChI=1S/C13H10N2O2S/c1-8-2-3-9(6-11(8)16)13-14-12(15-17-13)10-4-5-18-7-10/h2-7,16H,1H3
InChIKeyQIHPBCHJNWYTEY-UHFFFAOYSA-N
MW258.30 g/mol
LogP3.48
Rot. Bonds2

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

2-methyl-5-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)phenol (PubChem CID 63852485) has the molecular formula C13H10N2O2S and a molecular weight of 258.30 g/mol. Its IUPAC name is 2-methyl-5-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)phenol.

Molecular Properties

Compound Name2-methyl-5-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)phenol
PubChem CID63852485
Molecular FormulaC13H10N2O2S
Molecular Weight258.30 g/mol
Exact Mass258.05
IUPAC Name2-methyl-5-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)phenol
SMILESCc1ccc(-c2nc(-c3ccsc3)no2)cc1O
InChIInChI=1S/C13H10N2O2S/c1-8-2-3-9(6-11(8)16)13-14-12(15-17-13)10-4-5-18-7-10/h2-7,16H,1H3
InChIKeyQIHPBCHJNWYTEY-UHFFFAOYSA-N
XLogP3.48
TPSA59.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.30
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)phenol?
The IUPAC name of 2-methyl-5-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)phenol (CID 63852485) is 2-methyl-5-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)phenol.
What is the SMILES notation for 2-methyl-5-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)phenol?
The canonical SMILES for 2-methyl-5-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)phenol is Cc1ccc(-c2nc(-c3ccsc3)no2)cc1O.
What is the InChIKey of 2-methyl-5-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)phenol?
The InChIKey is QIHPBCHJNWYTEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10N2O2S/c1-8-2-3-9(6-11(8)16)13-14-12(15-17-13)10-4-5-18-7-10/h2-7,16H,1H3.
What are the key properties of 2-methyl-5-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)phenol?
2-methyl-5-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)phenol has a molecular weight of 258.30 g/mol, XLogP of 3.48, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)phenol is sourced from PubChem (CID 63852485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).