2-benzylsulfanyl-5-ethyl-1,3,4-oxadiazole

C11H12N2OS — CID 8708192

IUPAC2-benzylsulfanyl-5-ethyl-1,3,4-oxadiazole
SMILESCCc1nnc(SCc2ccccc2)o1
InChIInChI=1S/C11H12N2OS/c1-2-10-12-13-11(14-10)15-8-9-6-4-3-5-7-9/h3-7H,2,8H2,1H3
InChIKeySVKUKIKSINLUJB-UHFFFAOYSA-N
MW220.30 g/mol
LogP2.92
Rot. Bonds4

About 2-benzylsulfanyl-5-ethyl-1,3,4-oxadiazole

2-benzylsulfanyl-5-ethyl-1,3,4-oxadiazole (PubChem CID 8708192) has the molecular formula C11H12N2OS and a molecular weight of 220.30 g/mol. Its IUPAC name is 2-benzylsulfanyl-5-ethyl-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-benzylsulfanyl-5-ethyl-1,3,4-oxadiazole
PubChem CID8708192
Molecular FormulaC11H12N2OS
Molecular Weight220.30 g/mol
Exact Mass220.07
IUPAC Name2-benzylsulfanyl-5-ethyl-1,3,4-oxadiazole
SMILESCCc1nnc(SCc2ccccc2)o1
InChIInChI=1S/C11H12N2OS/c1-2-10-12-13-11(14-10)15-8-9-6-4-3-5-7-9/h3-7H,2,8H2,1H3
InChIKeySVKUKIKSINLUJB-UHFFFAOYSA-N
XLogP2.92
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.30
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(5-ethyl-1,3,4-oxadiazol-2-yl)sulfanylmethyl]benzoate
CID 8708400
2-benzylsulfanyl-5-propan-2-yl-1,3,4-oxadiazole
CID 28564111
2-benzylsulfanyl-5-[(3,4-dimethoxyphenyl)methyl]-1,3,4-oxadiazole
CID 8708174
2-[(5-ethyl-1,3,4-oxadiazol-2-yl)sulfanylmethyl]benzonitrile
CID 6463128
2-[(4-ethylphenyl)methyl]-5-[(4-iodophenyl)methylsulfanyl]-1,3,4-oxadiazole
CID 92658731
[4-[[5-(3-phenylpropyl)-1,3,4-oxadiazol-2-yl]sulfanylmethyl]phenyl]methanol
CID 110005470
2-[(3-bromophenyl)methylsulfanyl]-5-propyl-1,3,4-oxadiazole
CID 28563619
2-benzylsulfanyl-5-(4-propan-2-ylphenyl)-1,3,4-oxadiazole
CID 56970576
2-benzylsulfanyl-5-(2-phenylethenyl)-1,3,4-oxadiazole
CID 3305182
2-[(4-ethylphenoxy)methyl]-5-[(4-fluorophenyl)methylsulfanyl]-1,3,4-oxadiazole
CID 862325
2-benzyl-5-(2-methylsulfonylethylsulfanyl)-1,3,4-oxadiazole
CID 47096888
(1R)-1-(5-benzylsulfanyl-1,3,4-oxadiazol-2-yl)-2-phenylethanamine
CID 42587067

Frequently Asked Questions

What is the IUPAC name of 2-benzylsulfanyl-5-ethyl-1,3,4-oxadiazole?
The IUPAC name of 2-benzylsulfanyl-5-ethyl-1,3,4-oxadiazole (CID 8708192) is 2-benzylsulfanyl-5-ethyl-1,3,4-oxadiazole.
What is the SMILES notation for 2-benzylsulfanyl-5-ethyl-1,3,4-oxadiazole?
The canonical SMILES for 2-benzylsulfanyl-5-ethyl-1,3,4-oxadiazole is CCc1nnc(SCc2ccccc2)o1.
What is the InChIKey of 2-benzylsulfanyl-5-ethyl-1,3,4-oxadiazole?
The InChIKey is SVKUKIKSINLUJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2OS/c1-2-10-12-13-11(14-10)15-8-9-6-4-3-5-7-9/h3-7H,2,8H2,1H3.
What are the key properties of 2-benzylsulfanyl-5-ethyl-1,3,4-oxadiazole?
2-benzylsulfanyl-5-ethyl-1,3,4-oxadiazole has a molecular weight of 220.30 g/mol, XLogP of 2.92, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzylsulfanyl-5-ethyl-1,3,4-oxadiazole is sourced from PubChem (CID 8708192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).