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

C13H14N2O2S — CID 80740996

IUPAC2-[[3-(thiolan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]phenol
SMILESOc1ccccc1Cc1nc(C2CCCS2)no1
InChIInChI=1S/C13H14N2O2S/c16-10-5-2-1-4-9(10)8-12-14-13(15-17-12)11-6-3-7-18-11/h1-2,4-5,11,16H,3,6-8H2
InChIKeyXVTIZJBPJOSUFN-UHFFFAOYSA-N
MW262.33 g/mol
LogP2.93
Rot. Bonds3

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

2-[[3-(thiolan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]phenol (PubChem CID 80740996) has the molecular formula C13H14N2O2S and a molecular weight of 262.33 g/mol. Its IUPAC name is 2-[[3-(thiolan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]phenol.

Molecular Properties

Compound Name2-[[3-(thiolan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]phenol
PubChem CID80740996
Molecular FormulaC13H14N2O2S
Molecular Weight262.33 g/mol
Exact Mass262.08
IUPAC Name2-[[3-(thiolan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]phenol
SMILESOc1ccccc1Cc1nc(C2CCCS2)no1
InChIInChI=1S/C13H14N2O2S/c16-10-5-2-1-4-9(10)8-12-14-13(15-17-12)11-6-3-7-18-11/h1-2,4-5,11,16H,3,6-8H2
InChIKeyXVTIZJBPJOSUFN-UHFFFAOYSA-N
XLogP2.93
TPSA59.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.33
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-phenyl-2-[3-(thiolan-2-yl)-1,2,4-oxadiazol-5-yl]ethanone
CID 80639242
2-[2-[3-(thian-2-yl)-1,2,4-oxadiazol-5-yl]ethyl]aniline
CID 107273796
[3-(thiolan-2-yl)-1,2,4-oxadiazol-5-yl]methanamine
CID 80620872
2-[[3-(oxolan-3-yl)-1,2,4-oxadiazol-5-yl]methyl]phenol
CID 80740545
2-[3-(thiolan-2-yl)-1,2,4-oxadiazol-5-yl]acetaldehyde
CID 115080477
5-(2,3-dihydro-1H-indol-3-ylmethyl)-3-(thiolan-2-yl)-1,2,4-oxadiazole
CID 80620238
2-[[3-(4-methylthiomorpholin-3-yl)-1,2,4-oxadiazol-5-yl]methyl]phenol
CID 106446131
1-[[3-(thiolan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]cyclohexan-1-amine
CID 80620335
[2-[(3-cyclobutyl-1,2,4-oxadiazol-5-yl)methyl]phenyl]methanamine
CID 81317921
2-[[3-(1,4-dioxan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]phenol
CID 115826071
2-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]aniline
CID 62536508
2-phenyl-2-[3-(thiolan-2-yl)-1,2,4-oxadiazol-5-yl]ethanamine
CID 80620615

Frequently Asked Questions

What is the IUPAC name of 2-[[3-(thiolan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]phenol?
The IUPAC name of 2-[[3-(thiolan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]phenol (CID 80740996) is 2-[[3-(thiolan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]phenol.
What is the SMILES notation for 2-[[3-(thiolan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]phenol?
The canonical SMILES for 2-[[3-(thiolan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]phenol is Oc1ccccc1Cc1nc(C2CCCS2)no1.
What is the InChIKey of 2-[[3-(thiolan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]phenol?
The InChIKey is XVTIZJBPJOSUFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O2S/c16-10-5-2-1-4-9(10)8-12-14-13(15-17-12)11-6-3-7-18-11/h1-2,4-5,11,16H,3,6-8H2.
What are the key properties of 2-[[3-(thiolan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]phenol?
2-[[3-(thiolan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]phenol has a molecular weight of 262.33 g/mol, XLogP of 2.93, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-(thiolan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]phenol is sourced from PubChem (CID 80740996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).