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

C11H12N2O2S — CID 63846099

IUPAC2-methyl-5-[3-(methylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]phenol
SMILESCSCc1noc(-c2ccc(C)c(O)c2)n1
InChIInChI=1S/C11H12N2O2S/c1-7-3-4-8(5-9(7)14)11-12-10(6-16-2)13-15-11/h3-5,14H,6H2,1-2H3
InChIKeyQQDGZFOFAYAVFX-UHFFFAOYSA-N
MW236.30 g/mol
LogP2.61
Rot. Bonds3

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

2-methyl-5-[3-(methylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]phenol (PubChem CID 63846099) has the molecular formula C11H12N2O2S and a molecular weight of 236.30 g/mol. Its IUPAC name is 2-methyl-5-[3-(methylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]phenol.

Molecular Properties

Compound Name2-methyl-5-[3-(methylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]phenol
PubChem CID63846099
Molecular FormulaC11H12N2O2S
Molecular Weight236.30 g/mol
Exact Mass236.06
IUPAC Name2-methyl-5-[3-(methylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]phenol
SMILESCSCc1noc(-c2ccc(C)c(O)c2)n1
InChIInChI=1S/C11H12N2O2S/c1-7-3-4-8(5-9(7)14)11-12-10(6-16-2)13-15-11/h3-5,14H,6H2,1-2H3
InChIKeyQQDGZFOFAYAVFX-UHFFFAOYSA-N
XLogP2.61
TPSA59.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.30
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-methyl-5-[3-(2-phenylethyl)-1,2,4-oxadiazol-5-yl]phenol
CID 63847009
2-methyl-5-[3-[(3-methylphenyl)methyl]-1,2,4-oxadiazol-5-yl]phenol
CID 63844920
2-methyl-5-[3-[(2-methylphenyl)methyl]-1,2,4-oxadiazol-5-yl]phenol
CID 63846134
5-[3-(3-methoxypropyl)-1,2,4-oxadiazol-5-yl]-2-methylphenol
CID 65094056
2-methyl-5-[3-(pyridin-3-ylmethyl)-1,2,4-oxadiazol-5-yl]phenol
CID 63845758
2-methyl-5-[3-(4-methylsulfanylphenyl)-1,2,4-oxadiazol-5-yl]phenol
CID 106850093
2-methyl-5-[3-(phenoxymethyl)-1,2,4-oxadiazol-5-yl]phenol
CID 63844897
5-[3-(methylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]pyridin-3-ol
CID 63845583
2-methyl-5-(3-phenyl-1,2,4-oxadiazol-5-yl)phenol
CID 63851081
4-(3-ethyl-1,2,4-oxadiazol-5-yl)benzene-1,2-diol
CID 136904389
2-methyl-5-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)phenol
CID 63850419
2-methyl-4-[3-[(4-methylphenyl)methyl]-1,2,4-oxadiazol-5-yl]phenol
CID 136751064

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-[3-(methylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]phenol?
The IUPAC name of 2-methyl-5-[3-(methylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]phenol (CID 63846099) is 2-methyl-5-[3-(methylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]phenol.
What is the SMILES notation for 2-methyl-5-[3-(methylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]phenol?
The canonical SMILES for 2-methyl-5-[3-(methylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]phenol is CSCc1noc(-c2ccc(C)c(O)c2)n1.
What is the InChIKey of 2-methyl-5-[3-(methylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]phenol?
The InChIKey is QQDGZFOFAYAVFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O2S/c1-7-3-4-8(5-9(7)14)11-12-10(6-16-2)13-15-11/h3-5,14H,6H2,1-2H3.
What are the key properties of 2-methyl-5-[3-(methylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]phenol?
2-methyl-5-[3-(methylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]phenol has a molecular weight of 236.30 g/mol, XLogP of 2.61, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-[3-(methylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]phenol is sourced from PubChem (CID 63846099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).