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

C12H14N2O2S — CID 75376234

IUPAC2-[1-(5-ethyl-1,3,4-oxadiazol-2-yl)ethylsulfanyl]phenol
SMILESCCc1nnc(C(C)Sc2ccccc2O)o1
InChIInChI=1S/C12H14N2O2S/c1-3-11-13-14-12(16-11)8(2)17-10-7-5-4-6-9(10)15/h4-8,15H,3H2,1-2H3
InChIKeyDFPKRCNLTDCVMK-UHFFFAOYSA-N
MW250.32 g/mol
LogP3.19
Rot. Bonds4

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

2-[1-(5-ethyl-1,3,4-oxadiazol-2-yl)ethylsulfanyl]phenol (PubChem CID 75376234) has the molecular formula C12H14N2O2S and a molecular weight of 250.32 g/mol. Its IUPAC name is 2-[1-(5-ethyl-1,3,4-oxadiazol-2-yl)ethylsulfanyl]phenol.

Molecular Properties

Compound Name2-[1-(5-ethyl-1,3,4-oxadiazol-2-yl)ethylsulfanyl]phenol
PubChem CID75376234
Molecular FormulaC12H14N2O2S
Molecular Weight250.32 g/mol
Exact Mass250.08
IUPAC Name2-[1-(5-ethyl-1,3,4-oxadiazol-2-yl)ethylsulfanyl]phenol
SMILESCCc1nnc(C(C)Sc2ccccc2O)o1
InChIInChI=1S/C12H14N2O2S/c1-3-11-13-14-12(16-11)8(2)17-10-7-5-4-6-9(10)15/h4-8,15H,3H2,1-2H3
InChIKeyDFPKRCNLTDCVMK-UHFFFAOYSA-N
XLogP3.19
TPSA59.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.32
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(5-ethyl-1,3,4-oxadiazol-2-yl)ethylsulfanyl]phenol?
The IUPAC name of 2-[1-(5-ethyl-1,3,4-oxadiazol-2-yl)ethylsulfanyl]phenol (CID 75376234) is 2-[1-(5-ethyl-1,3,4-oxadiazol-2-yl)ethylsulfanyl]phenol.
What is the SMILES notation for 2-[1-(5-ethyl-1,3,4-oxadiazol-2-yl)ethylsulfanyl]phenol?
The canonical SMILES for 2-[1-(5-ethyl-1,3,4-oxadiazol-2-yl)ethylsulfanyl]phenol is CCc1nnc(C(C)Sc2ccccc2O)o1.
What is the InChIKey of 2-[1-(5-ethyl-1,3,4-oxadiazol-2-yl)ethylsulfanyl]phenol?
The InChIKey is DFPKRCNLTDCVMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O2S/c1-3-11-13-14-12(16-11)8(2)17-10-7-5-4-6-9(10)15/h4-8,15H,3H2,1-2H3.
What are the key properties of 2-[1-(5-ethyl-1,3,4-oxadiazol-2-yl)ethylsulfanyl]phenol?
2-[1-(5-ethyl-1,3,4-oxadiazol-2-yl)ethylsulfanyl]phenol has a molecular weight of 250.32 g/mol, XLogP of 3.19, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(5-ethyl-1,3,4-oxadiazol-2-yl)ethylsulfanyl]phenol is sourced from PubChem (CID 75376234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).