2-[(1S)-1-(5-ethyl-1,3,4-oxadiazol-2-yl)ethyl]sulfanylphenol

C12H14N2O2S — CID 97220302

IUPAC2-[(1S)-1-(5-ethyl-1,3,4-oxadiazol-2-yl)ethyl]sulfanylphenol
SMILESCCc1nnc([C@H](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/t8-/m0/s1
InChIKeyDFPKRCNLTDCVMK-QMMMGPOBSA-N
MW250.32 g/mol
LogP3.19
Rot. Bonds4

About 2-[(1S)-1-(5-ethyl-1,3,4-oxadiazol-2-yl)ethyl]sulfanylphenol

2-[(1S)-1-(5-ethyl-1,3,4-oxadiazol-2-yl)ethyl]sulfanylphenol (PubChem CID 97220302) has the molecular formula C12H14N2O2S and a molecular weight of 250.32 g/mol. Its IUPAC name is 2-[(1S)-1-(5-ethyl-1,3,4-oxadiazol-2-yl)ethyl]sulfanylphenol.

Molecular Properties

Compound Name2-[(1S)-1-(5-ethyl-1,3,4-oxadiazol-2-yl)ethyl]sulfanylphenol
PubChem CID97220302
Molecular FormulaC12H14N2O2S
Molecular Weight250.32 g/mol
Exact Mass250.08
IUPAC Name2-[(1S)-1-(5-ethyl-1,3,4-oxadiazol-2-yl)ethyl]sulfanylphenol
SMILESCCc1nnc([C@H](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/t8-/m0/s1
InChIKeyDFPKRCNLTDCVMK-QMMMGPOBSA-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-[(1S)-1-(5-ethyl-1,3,4-oxadiazol-2-yl)ethyl]sulfanylphenol?
The IUPAC name of 2-[(1S)-1-(5-ethyl-1,3,4-oxadiazol-2-yl)ethyl]sulfanylphenol (CID 97220302) is 2-[(1S)-1-(5-ethyl-1,3,4-oxadiazol-2-yl)ethyl]sulfanylphenol.
What is the SMILES notation for 2-[(1S)-1-(5-ethyl-1,3,4-oxadiazol-2-yl)ethyl]sulfanylphenol?
The canonical SMILES for 2-[(1S)-1-(5-ethyl-1,3,4-oxadiazol-2-yl)ethyl]sulfanylphenol is CCc1nnc([C@H](C)Sc2ccccc2O)o1.
What is the InChIKey of 2-[(1S)-1-(5-ethyl-1,3,4-oxadiazol-2-yl)ethyl]sulfanylphenol?
The InChIKey is DFPKRCNLTDCVMK-QMMMGPOBSA-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/t8-/m0/s1.
What are the key properties of 2-[(1S)-1-(5-ethyl-1,3,4-oxadiazol-2-yl)ethyl]sulfanylphenol?
2-[(1S)-1-(5-ethyl-1,3,4-oxadiazol-2-yl)ethyl]sulfanylphenol 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-[(1S)-1-(5-ethyl-1,3,4-oxadiazol-2-yl)ethyl]sulfanylphenol is sourced from PubChem (CID 97220302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).