3-[(5-methyl-1,3,4-oxadiazol-2-yl)methylsulfanyl]phenol

C10H10N2O2S — CID 104590597

IUPAC3-[(5-methyl-1,3,4-oxadiazol-2-yl)methylsulfanyl]phenol
SMILESCc1nnc(CSc2cccc(O)c2)o1
InChIInChI=1S/C10H10N2O2S/c1-7-11-12-10(14-7)6-15-9-4-2-3-8(13)5-9/h2-5,13H,6H2,1H3
InChIKeyQIJMRWJAFLACKK-UHFFFAOYSA-N
MW222.27 g/mol
LogP2.38
Rot. Bonds3

About 3-[(5-methyl-1,3,4-oxadiazol-2-yl)methylsulfanyl]phenol

3-[(5-methyl-1,3,4-oxadiazol-2-yl)methylsulfanyl]phenol (PubChem CID 104590597) has the molecular formula C10H10N2O2S and a molecular weight of 222.27 g/mol. Its IUPAC name is 3-[(5-methyl-1,3,4-oxadiazol-2-yl)methylsulfanyl]phenol.

Molecular Properties

Compound Name3-[(5-methyl-1,3,4-oxadiazol-2-yl)methylsulfanyl]phenol
PubChem CID104590597
Molecular FormulaC10H10N2O2S
Molecular Weight222.27 g/mol
Exact Mass222.05
IUPAC Name3-[(5-methyl-1,3,4-oxadiazol-2-yl)methylsulfanyl]phenol
SMILESCc1nnc(CSc2cccc(O)c2)o1
InChIInChI=1S/C10H10N2O2S/c1-7-11-12-10(14-7)6-15-9-4-2-3-8(13)5-9/h2-5,13H,6H2,1H3
InChIKeyQIJMRWJAFLACKK-UHFFFAOYSA-N
XLogP2.38
TPSA59.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.27
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[(5-methyl-1,3,4-oxadiazol-2-yl)methylsulfanyl]phenol?
The IUPAC name of 3-[(5-methyl-1,3,4-oxadiazol-2-yl)methylsulfanyl]phenol (CID 104590597) is 3-[(5-methyl-1,3,4-oxadiazol-2-yl)methylsulfanyl]phenol.
What is the SMILES notation for 3-[(5-methyl-1,3,4-oxadiazol-2-yl)methylsulfanyl]phenol?
The canonical SMILES for 3-[(5-methyl-1,3,4-oxadiazol-2-yl)methylsulfanyl]phenol is Cc1nnc(CSc2cccc(O)c2)o1.
What is the InChIKey of 3-[(5-methyl-1,3,4-oxadiazol-2-yl)methylsulfanyl]phenol?
The InChIKey is QIJMRWJAFLACKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2O2S/c1-7-11-12-10(14-7)6-15-9-4-2-3-8(13)5-9/h2-5,13H,6H2,1H3.
What are the key properties of 3-[(5-methyl-1,3,4-oxadiazol-2-yl)methylsulfanyl]phenol?
3-[(5-methyl-1,3,4-oxadiazol-2-yl)methylsulfanyl]phenol has a molecular weight of 222.27 g/mol, XLogP of 2.38, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-methyl-1,3,4-oxadiazol-2-yl)methylsulfanyl]phenol is sourced from PubChem (CID 104590597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).