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

C12H12N2O2S — CID 104590164

IUPAC3-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]phenol
SMILESOc1cccc(SCc2noc(C3CC3)n2)c1
InChIInChI=1S/C12H12N2O2S/c15-9-2-1-3-10(6-9)17-7-11-13-12(16-14-11)8-4-5-8/h1-3,6,8,15H,4-5,7H2
InChIKeyILTOBBYKXBLTBH-UHFFFAOYSA-N
MW248.31 g/mol
LogP2.94
Rot. Bonds4

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

3-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]phenol (PubChem CID 104590164) has the molecular formula C12H12N2O2S and a molecular weight of 248.31 g/mol. Its IUPAC name is 3-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]phenol.

Molecular Properties

Compound Name3-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]phenol
PubChem CID104590164
Molecular FormulaC12H12N2O2S
Molecular Weight248.31 g/mol
Exact Mass248.06
IUPAC Name3-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]phenol
SMILESOc1cccc(SCc2noc(C3CC3)n2)c1
InChIInChI=1S/C12H12N2O2S/c15-9-2-1-3-10(6-9)17-7-11-13-12(16-14-11)8-4-5-8/h1-3,6,8,15H,4-5,7H2
InChIKeyILTOBBYKXBLTBH-UHFFFAOYSA-N
XLogP2.94
TPSA59.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.31
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]phenol with MolForge

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Related Compounds

4-[3-[(3-fluorophenyl)sulfanylmethyl]-1,2,4-oxadiazol-5-yl]cyclohexan-1-ol
CID 66073372
3-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]phenol
CID 104590238
3-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methylsulfanyl]phenol
CID 104590737
4-[3-[(4-bromophenyl)sulfanylmethyl]-1,2,4-oxadiazol-5-yl]cyclohexan-1-ol
CID 66056524
cis-(1S,3R)-3-[3-(phenylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]cyclopentan-1-amine
CID 106323384
5-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]pyridin-2-amine
CID 54959929
2-[3-[(3-methylphenyl)sulfanylmethyl]-1,2,4-oxadiazol-5-yl]cyclohexan-1-ol
CID 66086839
2-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]pyridin-3-amine
CID 54959927
cis-(1S,3R)-3-[3-[(4-bromophenyl)sulfanylmethyl]-1,2,4-oxadiazol-5-yl]cyclopentan-1-amine
CID 106323426
3-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methylsulfanyl]phenol
CID 104590345
3-[(5-phenyl-1,2-oxazol-3-yl)methylsulfanyl]phenol
CID 104590242
5-cyclopropyl-3-[(3-fluorophenoxy)methyl]-1,2,4-oxadiazole
CID 63861878

Frequently Asked Questions

What is the IUPAC name of 3-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]phenol?
The IUPAC name of 3-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]phenol (CID 104590164) is 3-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]phenol.
What is the SMILES notation for 3-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]phenol?
The canonical SMILES for 3-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]phenol is Oc1cccc(SCc2noc(C3CC3)n2)c1.
What is the InChIKey of 3-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]phenol?
The InChIKey is ILTOBBYKXBLTBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O2S/c15-9-2-1-3-10(6-9)17-7-11-13-12(16-14-11)8-4-5-8/h1-3,6,8,15H,4-5,7H2.
What are the key properties of 3-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]phenol?
3-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]phenol has a molecular weight of 248.31 g/mol, XLogP of 2.94, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]phenol is sourced from PubChem (CID 104590164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).