[5-(phenylsulfanylmethyl)-1,2,4-oxadiazol-3-yl]methanol

C10H10N2O2S — CID 102660365

IUPAC[5-(phenylsulfanylmethyl)-1,2,4-oxadiazol-3-yl]methanol
SMILESOCc1noc(CSc2ccccc2)n1
InChIInChI=1S/C10H10N2O2S/c13-6-9-11-10(14-12-9)7-15-8-4-2-1-3-5-8/h1-5,13H,6-7H2
InChIKeyYKWIBQAIXARPJZ-UHFFFAOYSA-N
MW222.27 g/mol
LogP1.85
Rot. Bonds4

About [5-(phenylsulfanylmethyl)-1,2,4-oxadiazol-3-yl]methanol

[5-(phenylsulfanylmethyl)-1,2,4-oxadiazol-3-yl]methanol (PubChem CID 102660365) has the molecular formula C10H10N2O2S and a molecular weight of 222.27 g/mol. Its IUPAC name is [5-(phenylsulfanylmethyl)-1,2,4-oxadiazol-3-yl]methanol.

Molecular Properties

Compound Name[5-(phenylsulfanylmethyl)-1,2,4-oxadiazol-3-yl]methanol
PubChem CID102660365
Molecular FormulaC10H10N2O2S
Molecular Weight222.27 g/mol
Exact Mass222.05
IUPAC Name[5-(phenylsulfanylmethyl)-1,2,4-oxadiazol-3-yl]methanol
SMILESOCc1noc(CSc2ccccc2)n1
InChIInChI=1S/C10H10N2O2S/c13-6-9-11-10(14-12-9)7-15-8-4-2-1-3-5-8/h1-5,13H,6-7H2
InChIKeyYKWIBQAIXARPJZ-UHFFFAOYSA-N
XLogP1.85
TPSA59.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.27
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(chloromethyl)-5-(phenylsulfanylmethyl)-1,2,4-oxadiazole
CID 56686896
N-[[5-(phenylsulfanylmethyl)-1,2,4-oxadiazol-3-yl]methyl]propan-2-amine
CID 79205518
2-amino-2-[5-(phenylsulfanylmethyl)-1,2,4-oxadiazol-3-yl]ethanol
CID 104633193
3,5-bis[(4-bromophenyl)sulfanylmethyl]-1,2,4-oxadiazole
CID 20566315
methyl 5-(phenylsulfanylmethyl)-1,2,4-oxadiazole-3-carboxylate
CID 67266859
N-methyl-1-[3-(phenylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]propan-2-amine
CID 65143603
1-methoxy-3-[3-(phenylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]propan-2-one
CID 65143742
5-(azetidin-3-ylmethyl)-3-(phenylsulfanylmethyl)-1,2,4-oxadiazole
CID 65142038
3-(chloromethyl)-5-(pyridin-4-ylsulfanylmethyl)-1,2,4-oxadiazole
CID 56686859
3-(4-bromophenyl)-5-(phenylsulfanylmethyl)-1,2,4-oxadiazole
CID 895252
[3-[(2-fluorophenyl)sulfanylmethyl]-1,2,4-oxadiazol-5-yl]methanol
CID 66085611
N,3-dimethyl-1-[3-(phenylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]butan-2-amine
CID 65143180

Frequently Asked Questions

What is the IUPAC name of [5-(phenylsulfanylmethyl)-1,2,4-oxadiazol-3-yl]methanol?
The IUPAC name of [5-(phenylsulfanylmethyl)-1,2,4-oxadiazol-3-yl]methanol (CID 102660365) is [5-(phenylsulfanylmethyl)-1,2,4-oxadiazol-3-yl]methanol.
What is the SMILES notation for [5-(phenylsulfanylmethyl)-1,2,4-oxadiazol-3-yl]methanol?
The canonical SMILES for [5-(phenylsulfanylmethyl)-1,2,4-oxadiazol-3-yl]methanol is OCc1noc(CSc2ccccc2)n1.
What is the InChIKey of [5-(phenylsulfanylmethyl)-1,2,4-oxadiazol-3-yl]methanol?
The InChIKey is YKWIBQAIXARPJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2O2S/c13-6-9-11-10(14-12-9)7-15-8-4-2-1-3-5-8/h1-5,13H,6-7H2.
What are the key properties of [5-(phenylsulfanylmethyl)-1,2,4-oxadiazol-3-yl]methanol?
[5-(phenylsulfanylmethyl)-1,2,4-oxadiazol-3-yl]methanol has a molecular weight of 222.27 g/mol, XLogP of 1.85, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(phenylsulfanylmethyl)-1,2,4-oxadiazol-3-yl]methanol is sourced from PubChem (CID 102660365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).