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

C11H12N2O2S — CID 62027816

IUPAC2-[(5-ethyl-1,3,4-oxadiazol-2-yl)methylsulfanyl]phenol
SMILESCCc1nnc(CSc2ccccc2O)o1
InChIInChI=1S/C11H12N2O2S/c1-2-10-12-13-11(15-10)7-16-9-6-4-3-5-8(9)14/h3-6,14H,2,7H2,1H3
InChIKeySKBPIZNDABPIDV-UHFFFAOYSA-N
MW236.30 g/mol
LogP2.63
Rot. Bonds4

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

2-[(5-ethyl-1,3,4-oxadiazol-2-yl)methylsulfanyl]phenol (PubChem CID 62027816) has the molecular formula C11H12N2O2S and a molecular weight of 236.30 g/mol. Its IUPAC name is 2-[(5-ethyl-1,3,4-oxadiazol-2-yl)methylsulfanyl]phenol.

Molecular Properties

Compound Name2-[(5-ethyl-1,3,4-oxadiazol-2-yl)methylsulfanyl]phenol
PubChem CID62027816
Molecular FormulaC11H12N2O2S
Molecular Weight236.30 g/mol
Exact Mass236.06
IUPAC Name2-[(5-ethyl-1,3,4-oxadiazol-2-yl)methylsulfanyl]phenol
SMILESCCc1nnc(CSc2ccccc2O)o1
InChIInChI=1S/C11H12N2O2S/c1-2-10-12-13-11(15-10)7-16-9-6-4-3-5-8(9)14/h3-6,14H,2,7H2,1H3
InChIKeySKBPIZNDABPIDV-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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Frequently Asked Questions

What is the IUPAC name of 2-[(5-ethyl-1,3,4-oxadiazol-2-yl)methylsulfanyl]phenol?
The IUPAC name of 2-[(5-ethyl-1,3,4-oxadiazol-2-yl)methylsulfanyl]phenol (CID 62027816) is 2-[(5-ethyl-1,3,4-oxadiazol-2-yl)methylsulfanyl]phenol.
What is the SMILES notation for 2-[(5-ethyl-1,3,4-oxadiazol-2-yl)methylsulfanyl]phenol?
The canonical SMILES for 2-[(5-ethyl-1,3,4-oxadiazol-2-yl)methylsulfanyl]phenol is CCc1nnc(CSc2ccccc2O)o1.
What is the InChIKey of 2-[(5-ethyl-1,3,4-oxadiazol-2-yl)methylsulfanyl]phenol?
The InChIKey is SKBPIZNDABPIDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O2S/c1-2-10-12-13-11(15-10)7-16-9-6-4-3-5-8(9)14/h3-6,14H,2,7H2,1H3.
What are the key properties of 2-[(5-ethyl-1,3,4-oxadiazol-2-yl)methylsulfanyl]phenol?
2-[(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 2-[(5-ethyl-1,3,4-oxadiazol-2-yl)methylsulfanyl]phenol is sourced from PubChem (CID 62027816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).