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

C11H12N2O2S — CID 104590639

IUPAC3-[(5-ethyl-1,3,4-oxadiazol-2-yl)methylsulfanyl]phenol
SMILESCCc1nnc(CSc2cccc(O)c2)o1
InChIInChI=1S/C11H12N2O2S/c1-2-10-12-13-11(15-10)7-16-9-5-3-4-8(14)6-9/h3-6,14H,2,7H2,1H3
InChIKeyKJNZRMCHRRBOEH-UHFFFAOYSA-N
MW236.30 g/mol
LogP2.63
Rot. Bonds4

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

3-[(5-ethyl-1,3,4-oxadiazol-2-yl)methylsulfanyl]phenol (PubChem CID 104590639) has the molecular formula C11H12N2O2S and a molecular weight of 236.30 g/mol. Its IUPAC name is 3-[(5-ethyl-1,3,4-oxadiazol-2-yl)methylsulfanyl]phenol.

Molecular Properties

Compound Name3-[(5-ethyl-1,3,4-oxadiazol-2-yl)methylsulfanyl]phenol
PubChem CID104590639
Molecular FormulaC11H12N2O2S
Molecular Weight236.30 g/mol
Exact Mass236.06
IUPAC Name3-[(5-ethyl-1,3,4-oxadiazol-2-yl)methylsulfanyl]phenol
SMILESCCc1nnc(CSc2cccc(O)c2)o1
InChIInChI=1S/C11H12N2O2S/c1-2-10-12-13-11(15-10)7-16-9-5-3-4-8(14)6-9/h3-6,14H,2,7H2,1H3
InChIKeyKJNZRMCHRRBOEH-UHFFFAOYSA-N
XLogP2.63
TPSA59.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.30
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(((5-Ethyl-1,3,4-oxadiazol-2-yl)methyl)thio)phenol
CID 53521822
4-[(5-Methyl-1,3,4-oxadiazol-2-yl)methylsulfanyl]phenol
CID 53527755
4-[(5-Tert-butyl-1,3,4-oxadiazol-2-yl)methylsulfanyl]phenol
CID 54910846
2-[(5-Tert-butyl-1,3,4-oxadiazol-2-yl)methylsulfanyl]phenol
CID 61999755
2-[(5-Ethyl-1,3,4-oxadiazol-2-yl)methylsulfanyl]phenol
CID 62027816
2-[(5-Methyl-1,3,4-oxadiazol-2-yl)methylsulfanyl]phenol
CID 62027817
2-[1-(5-Ethyl-1,3,4-oxadiazol-2-yl)ethylsulfanyl]phenol
CID 75376234
2-[(4-Methoxyphenyl)sulfanylmethyl]-5-methyl-1,3,4-oxadiazole
CID 78791491
2-[(1R)-1-(5-ethyl-1,3,4-oxadiazol-2-yl)ethyl]sulfanylphenol
CID 97220301
2-[(1S)-1-(5-ethyl-1,3,4-oxadiazol-2-yl)ethyl]sulfanylphenol
CID 97220302
3-[(5-Methyl-1,3,4-oxadiazol-2-yl)methylsulfanyl]phenol
CID 104590597
3-[(5-Tert-butyl-1,3,4-oxadiazol-2-yl)methylsulfanyl]phenol
CID 113430110

Frequently Asked Questions

What is the IUPAC name of 3-[(5-ethyl-1,3,4-oxadiazol-2-yl)methylsulfanyl]phenol?
The IUPAC name of 3-[(5-ethyl-1,3,4-oxadiazol-2-yl)methylsulfanyl]phenol (CID 104590639) is 3-[(5-ethyl-1,3,4-oxadiazol-2-yl)methylsulfanyl]phenol.
What is the SMILES notation for 3-[(5-ethyl-1,3,4-oxadiazol-2-yl)methylsulfanyl]phenol?
The canonical SMILES for 3-[(5-ethyl-1,3,4-oxadiazol-2-yl)methylsulfanyl]phenol is CCc1nnc(CSc2cccc(O)c2)o1.
What is the InChIKey of 3-[(5-ethyl-1,3,4-oxadiazol-2-yl)methylsulfanyl]phenol?
The InChIKey is KJNZRMCHRRBOEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O2S/c1-2-10-12-13-11(15-10)7-16-9-5-3-4-8(14)6-9/h3-6,14H,2,7H2,1H3.
What are the key properties of 3-[(5-ethyl-1,3,4-oxadiazol-2-yl)methylsulfanyl]phenol?
3-[(5-ethyl-1,3,4-oxadiazol-2-yl)methylsulfanyl]phenol has a molecular weight of 236.30 g/mol, XLogP of 2.63, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-ethyl-1,3,4-oxadiazol-2-yl)methylsulfanyl]phenol is sourced from PubChem (CID 104590639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).